rel-(3R,7aS)-2-(3-chlorophenyl)-3-[4-(propan-2-yl)phenyl]hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-2-(3-chlorophenyl)-3-[4-(propan-2-yl)phenyl]hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-2-(3-chlorophenyl)-3-[4-(propan-2-yl)phenyl]hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0295 |
| Compound Name: | rel-(3R,7aS)-2-(3-chlorophenyl)-3-[4-(propan-2-yl)phenyl]hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 354.88 |
| Molecular Formula: | C21 H23 Cl N2 O |
| Smiles: | CC(C)c1ccc(cc1)[C@H]1N(C([C@@H]2CCCN12)=O)c1cccc(c1)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.0417 |
| logD: | 4.7025 |
| logSw: | -5.3412 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 19.1812 |
| InChI Key: | QMHCELIAGXGVHJ-PMACEKPBSA-N |