Cas no 72562-60-8 (8,10-dimethyl-3,6,9,12,15-pentaoxa-21-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione)

8,10-dimethyl-3,6,9,12,15-pentaoxa-21-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione structure
72562-60-8 structure
Product Name:8,10-dimethyl-3,6,9,12,15-pentaoxa-21-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione
CAS No:72562-60-8
MF:C17H23NO7
MW:353.367025613785
CID:977331
PubChem ID:326427
Update Time:2025-04-19

8,10-dimethyl-3,6,9,12,15-pentaoxa-21-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione Chemical and Physical Properties

Names and Identifiers

    • 8,10-dimethyl-3,6,9,12,15-pentaoxa-21-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione
    • 3,6,9,12,15-Pentaoxa-21-azabicyclo(15.3.1)heneicosa-1(21),17,19-triene-2,16-dione, 8,10-dimethyl-
    • 3,6,9,12,15-Pentaoxa-21-azabicyclo[15.3.1]heneicosa-1(21),17,19-triene-2,16-dione, 8,10-dimethyl-
    • 8,10-dimethyl-3,6,9,12,15-pentaoxa-1(2,6)-pyridina-cyclohexadecaphane-2,16-dione
    • AC1L6YC1
    • AG-G-85854
    • CTK5D6488
    • NSC297848
    • 8,10-Dimethyl-3,6,9,12,15-pentaoxa-21-azabicyclo(15.3.1)heneicosa-1(21),17,19-triene-2,16-dione
    • DTXSID90993417
    • I36SQ5WAJ3
    • NSC 297848
    • UNII-I36SQ5WAJ3
    • 72562-60-8
    • NSC-297848
    • Inchi: 1S/C17H23NO7/c1-12-10-21-6-8-23-16(19)14-4-3-5-15(18-14)17(20)24-9-7-22-11-13(2)25-12/h3-5,12-13H,6-11H2,1-2H3
    • InChI Key: DCHRBABQISIBTJ-UHFFFAOYSA-N
    • SMILES: O1C(C)COCCOC(C2C=CC=C(C(=O)OCCOCC1C)N=2)=O

Computed Properties

  • Exact Mass: 353.14749
  • Monoisotopic Mass: 353.14745207g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 0
  • Complexity: 395
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.4
  • Topological Polar Surface Area: 93.2?2

Experimental Properties

  • PSA: 93.18
  • LogP: 1.23560

8,10-dimethyl-3,6,9,12,15-pentaoxa-21-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione Related Literature

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