Cas no 76129-16-3 (Acetamide,2,2,2-trifluoro-N-[(7S)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-)

Acetamide,2,2,2-trifluoro-N-[(7S)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]- structure
76129-16-3 structure
Product Name:Acetamide,2,2,2-trifluoro-N-[(7S)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-
CAS No:76129-16-3
MF:C22H22F3NO5S
MW:469.473995685577
CID:566991
PubChem ID:330851
Update Time:2025-04-19

Acetamide,2,2,2-trifluoro-N-[(7S)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]- Chemical and Physical Properties

Names and Identifiers

    • Acetamide,2,2,2-trifluoro-N-[(7S)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-
    • Acetamide, 2,2,2-trifluoro-N-[5,6,7,9-tetrahydro-1,2, 3-trimethoxy-10- (methylthio)-9-oxobenzo[a]heptalen-7-yl]-, (S)-
    • 10-Demethoxy-10-(methylthio)-17,17,17-trifluorocolchicine
    • 2,2,2-Trifluoro-N-[(S)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]acetamide
    • 2T-NATA, BEBQ2
    • N-[(S)-5,6,7,9-Tetrahydro-1,2,3-trimethoxy-10-methylthio-9-oxobenzo[a]heptalen-7-yl]-2,2,2-trifluoroacetamide
    • N-< 5,6,7,9-tetrahydro-1,2,3-trime
    • Acetamide, 2,2,2-trifluoro-N-[5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-, (S)-
    • COLCHICHINE DERIV.
    • Q27261418
    • DTXSID60997482
    • IDN-5005
    • Acetamide, N-(5,6,7,9-tetrahydro-10-(methylthio)-9-oxo-1,2,3-trimethoxybenzo(a)heptalen-7-yl)-2,2,2-trifluoro-, (S)-
    • MLS002703053
    • Acetamide, 2,2,2-trifluoro-N-[(7S)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-
    • ACETAMIDE, 2,2,2-TRIFLUORO-N-((7S)-5,6,7,9-TETRAHYDRO-1,2,3-TRIMETHOXY-10-(METHYLTHIO)-9-OXOBENZO(A)HEPTALEN-7-YL)-
    • COLCHICINE DERIV
    • N-(Trifluoroacetyl)deacetylthiocolchicine
    • Acetamide, 2,2,2-trifluoro-N-(5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo(a)heptalen-7-yl)-, (S)-
    • IDN 5005
    • 56PC0J2FKW
    • NCI60_002767
    • Acetamide,2,2,2-trifluoro-N-[5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-,(S)-
    • 2,2,2-Trifluoro-N-[1,2,3-trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]ethanimidic acid
    • NSC-320301
    • UNII-56PC0J2FKW
    • NSC 320301
    • 76129-16-3
    • 2,2,2-trifluoro-N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
    • CHEMBL280392
    • 17,17-TRIFLUORO-10-THIOCOLCHICINE
    • NSC320301
    • Acetamide,2,2-trifluoro-N-[5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-, (S)-
    • BRN 5318221
    • Inchi： 1S/C22H22F3NO5S/c1-29-16-9-11-5-7-14(26-21(28)22(23,24)25)13-10-15(27)17(32-4)8-6-12(13)18(11)20(31-3)19(16)30-2/h6,8-10,14H,5,7H2,1-4H3,(H,26,28)
    • InChI Key： LNELBQZKXVASLW-UHFFFAOYSA-N
    • SMILES： C1(CCC2C(=C(C(=C(C=2)OC)OC)OC)C2C1=CC(C(=CC=2)SC)=O)NC(C(F)(F)F)=O

Computed Properties

  • Exact Mass: 469.117078
  • Monoisotopic Mass: 469.117078
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 5
  • Complexity: 838
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.9
  • Topological Polar Surface Area: 99.2

Experimental Properties

  • Density: 1.37
  • Boiling Point: 686°C at 760 mmHg
  • Flash Point: 368.7°C
  • Refractive Index: 1.578
  • PSA: 99.16000
  • LogP: 4.51820

Acetamide,2,2,2-trifluoro-N-[(7S)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]- Related Literature

Related Categories

76129-16-3 (Acetamide,2,2,2-trifluoro-N-[(7S)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-) Related Products

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