Basic information
- CAS
146772-42-1- Standard SMILES
CN(C)CCCOc1ccccc1CC(=O)N1C[C@@H]2OCCC(Sc3ccccc3)(Sc3ccccc3)[C@@H]2C1- InChIKey
NZFGUZUHHVDWRK-DGPALRBDSA-N- Molecular formula
- C32H38N2O3S2
- Average molar mass
- 562.8 g/mol
- Monoisotopic mass
- 562.23238543
Names & identifiers
- Preferred name
- Thiopyrano(2,3-c)pyrrole, octahydro-6-((2-(3-(dimethylamino)propoxy)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-[3-(dimethylamino)propoxy]phenyl]ethanone
Names & synonyms
146772-42-1Thiopyrano(2,3-c)pyrrole, octahydro-6-((2-(3-(dimethylamino)propoxy)phenyl)acetyl)-4,4-diphenyl-, cis-(+-)-DTXSID10163473RefChem:385369DTXCID90859641-[(4aR,7aR)-4,4-Bis(phenylsulfanyl)hexahydropyrano[2,3-c]pyrrol-6(2H)-yl]-2-{2-[3-(dimethylamino)propoxy]phenyl}ethan-1-one
Database identifiers
- CAS
146772-42-1- PubChem CID
- 3073136
- DTXSID
DTXSID10163473
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 92.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 736
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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