rel-(3R,7aS)-2-(3,4-dichlorophenyl)-3-[4-(methylsulfanyl)phenyl]hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-2-(3,4-dichlorophenyl)-3-[4-(methylsulfanyl)phenyl]hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-2-(3,4-dichlorophenyl)-3-[4-(methylsulfanyl)phenyl]hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0114 |
| Compound Name: | rel-(3R,7aS)-2-(3,4-dichlorophenyl)-3-[4-(methylsulfanyl)phenyl]hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 393.33 |
| Molecular Formula: | C19 H18 Cl2 N2 O S |
| Smiles: | CSc1ccc(cc1)[C@H]1N(C([C@@H]2CCCN12)=O)c1ccc(c(c1)[Cl])[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.1223 |
| logD: | 5.0586 |
| logSw: | -5.7627 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 19.1812 |
| InChI Key: | BQDWFAWHVJKSAB-ROUUACIJSA-N |