Cas no 146772-47-6 (Thiopyrano[2,3-c]pyrrole,octahydro-6-[(2-methoxyphenyl)acetyl]-4,4-diphenyl-, 1-oxide, (1a,4aa,7aa)- (9CI))

Thiopyrano[2,3-c]pyrrole,octahydro-6-[(2-methoxyphenyl)acetyl]-4,4-diphenyl-, 1-oxide, (1a,4aa,7aa)- (9CI) structure
146772-47-6 structure
Product Name:Thiopyrano[2,3-c]pyrrole,octahydro-6-[(2-methoxyphenyl)acetyl]-4,4-diphenyl-, 1-oxide, (1a,4aa,7aa)- (9CI)
CAS No:146772-47-6
MF:C28H29NO3S
MW:459.599766492844
CID:154980
PubChem ID:3073140
Update Time:2025-04-19

Thiopyrano[2,3-c]pyrrole,octahydro-6-[(2-methoxyphenyl)acetyl]-4,4-diphenyl-, 1-oxide, (1a,4aa,7aa)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Thiopyrano[2,3-c]pyrrole,octahydro-6-[(2-methoxyphenyl)acetyl]-4,4-diphenyl-, 1-oxide, (1a,4aa,7aa)- (9CI)
    • 2-(2-methoxyphenyl)-1-(1-oxo-4,4-diphenyl-2,3,4a,5,7,7a-hexahydrothiopyrano[2,3-c]pyrrol-6-yl)ethanone
    • 6-[(2-Methoxyphenyl)acetyl]-4,4-diphenyloctahydro-1H-1lambda~4~-thiopyrano[2,3-c]pyrrol-1-one
    • DTXSID20932915
    • 146772-47-6
    • Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-((2-methoxyphenyl)acetyl)-, 1-oxide, (1-alpha,4a-alpha,7a-alpha)-(+-)-
    • Inchi： 1S/C28H29NO3S/c1-32-25-15-9-8-10-21(25)18-27(30)29-19-24-26(20-29)33(31)17-16-28(24,22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-15,24,26H,16-20H2,1H3
    • InChI Key： BSCINZPACYGJKL-UHFFFAOYSA-N
    • SMILES： S1(CCC(C2C=CC=CC=2)(C2C=CC=CC=2)C2CN(C(CC3C=CC=CC=3OC)=O)CC12)=O

Computed Properties

  • Exact Mass: 459.18697
  • Monoisotopic Mass: 459.187
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 5
  • Complexity: 681
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.9
  • Topological Polar Surface Area: 65.8?2

Experimental Properties

  • Density: 1.29
  • Boiling Point: 690.7°Cat760mmHg
  • Flash Point: 371.5°C
  • Refractive Index: 1.671
  • PSA: 46.61

Thiopyrano[2,3-c]pyrrole,octahydro-6-[(2-methoxyphenyl)acetyl]-4,4-diphenyl-, 1-oxide, (1a,4aa,7aa)- (9CI) Related Literature

146772-47-6 (Thiopyrano[2,3-c]pyrrole,octahydro-6-[(2-methoxyphenyl)acetyl]-4,4-diphenyl-, 1-oxide, (1a,4aa,7aa)- (9CI)) Related Products

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