rel-(3R,7aS)-2-(4-chlorophenyl)-3-[4-(methylsulfanyl)phenyl]hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-2-(4-chlorophenyl)-3-[4-(methylsulfanyl)phenyl]hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-2-(4-chlorophenyl)-3-[4-(methylsulfanyl)phenyl]hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0445 |
| Compound Name: | rel-(3R,7aS)-2-(4-chlorophenyl)-3-[4-(methylsulfanyl)phenyl]hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 358.89 |
| Molecular Formula: | C19 H19 Cl N2 O S |
| Smiles: | CSc1ccc(cc1)[C@H]1N(C([C@@H]2CCCN12)=O)c1ccc(cc1)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.3629 |
| logD: | 4.1684 |
| logSw: | -4.773 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 19.1812 |
| InChI Key: | IENHQDFICATLIR-ROUUACIJSA-N |