Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-(1-oxo-2-(2-methoxyphenyl)propyl)-, (4aR-(4a-alpha,6(S*),7a-alpha))-
Basic information
- CAS
146674-57-9- Standard SMILES
COc1ccccc1C(C)C(=O)n1cc2c(c1)C(Sc1ccccc1)(Sc1ccccc1)C=CO2- InChIKey
CLMARRACOVAMMI-UHFFFAOYSA-N- Molecular formula
- C29H25NO3S2
- Average molar mass
- 499.6 g/mol
- Monoisotopic mass
- 499.12758601
Names & identifiers
- Preferred name
- Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-(1-oxo-2-(2-methoxyphenyl)propyl)-, (4aR-(4a-alpha,6(S*),7a-alpha))-
- IUPAC
- 1-[4,4-bis(phenylsulfanyl)pyrano[2,3-c]pyrrol-6-yl]-2-(2-methoxyphenyl)propan-1-one
Names & synonyms
((Methoxy-2 phenyl)-2 propionyl-(S))-6 diphenyl-4,4 perhydrothiopyrano(2,3-c)pyrrole146674-57-9Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-(1-oxo-2-(2-methoxyphenyl)propyl)-, (4aR-(4a-alpha,6(S*),7a-alpha))-RefChem:385363DTXSID609328781-[4,4-Bis(phenylsulfanyl)pyrano[2,3-c]pyrrol-6(4H)-yl]-2-(2-methoxyphenyl)propan-1-one
Database identifiers
- CAS
146674-57-9- PubChem CID
- 3073129
- DTXSID
DTXSID60932878
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 91.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 713
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Compound notes
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