Basic information
- Standard SMILES
Cc1ccc(S[C@@H]2C[C@H]3CN(c4ccc(OC(F)(F)F)cc4)C(=O)N3C2)cc1- InChIKey
DXWKPAQWVZVXHG-MAUKXSAKSA-N- Molecular formula
- C20H19F3N2O2S
- Average molar mass
- 408.4 g/mol
Names & identifiers
- Preferred name
- (6R,7aS)-6-p-Tolylsulfanyl-2-(4-trifluoromethoxy-phenyl)-hexahydro-pyrrolo[1,2-c]imidazol-3-one
- IUPAC
- (6R,7aS)-6-(4-methylphenyl)sulfanyl-2-[4-(trifluoromethoxy)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
Names & synonyms
(6R,7aS)-6-p-Tolylsulfanyl-2-(4-trifluoromethoxy-phenyl)-hexahydro-pyrrolo[1,2-c]imidazol-3-oneSCHEMBL13721112
Database identifiers
- PubChem CID
- 70976100
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 560
Related reactions
1 records
Compound notes
Loading…