Thiopyrano(2,3-c)pyrrole, octahydro-6-((2-(dimethylamino)phenyl)acetyl)-4,4-diphenyl-, cis-(+-)-
Basic information
- CAS
146674-52-4- Standard SMILES
CN(C)c1ccccc1CC(=O)N1C[C@@H]2OCCC(Sc3ccccc3)(Sc3ccccc3)[C@@H]2C1- InChIKey
HGBDIVUCNBMDBC-VPUSJEBWSA-N- Molecular formula
- C29H32N2O2S2
- Average molar mass
- 504.7 g/mol
- Monoisotopic mass
- 504.19052061
Names & identifiers
- Preferred name
- Thiopyrano(2,3-c)pyrrole, octahydro-6-((2-(dimethylamino)phenyl)acetyl)-4,4-diphenyl-, cis-(+-)-
- IUPAC
- 1-[(4aR,7aR)-4,4-bis(phenylsulfanyl)-2,3,4a,5,7,7a-hexahydropyrano[2,3-c]pyrrol-6-yl]-2-[2-(dimethylamino)phenyl]ethanone
Names & synonyms
Thiopyrano(2,3-c)pyrrole, octahydro-6-((2-(dimethylamino)phenyl)acetyl)-4,4-diphenyl-, cis-(+-)-((Dimethylamino-2 phenyl)acetyl)-6 diphenyl-4,4 perhydrothiopyrano(2,3-c)pyrrole-(4aRS,7aRS)146674-52-4DTXSID30163435RefChem:385371DTXCID30859261-[(4aR,7aR)-4,4-Bis(phenylsulfanyl)hexahydropyrano[2,3-c]pyrrol-6(2H)-yl]-2-[2-(dimethylamino)phenyl]ethan-1-one
Database identifiers
- CAS
146674-52-4- PubChem CID
- 3073124
- DTXSID
DTXSID30163435
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 672
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Compound notes
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