rel-(3R,7aS)-2-(3,4-dichlorophenyl)-3-[4-(diethylamino)phenyl]hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-2-(3,4-dichlorophenyl)-3-[4-(diethylamino)phenyl]hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-2-(3,4-dichlorophenyl)-3-[4-(diethylamino)phenyl]hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0106 |
| Compound Name: | rel-(3R,7aS)-2-(3,4-dichlorophenyl)-3-[4-(diethylamino)phenyl]hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 418.37 |
| Molecular Formula: | C22 H25 Cl2 N3 O |
| Smiles: | CCN(CC)c1ccc(cc1)[C@H]1N(C([C@@H]2CCCN12)=O)c1ccc(c(c1)[Cl])[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.2135 |
| logD: | 4.8776 |
| logSw: | -5.897 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 21.9174 |
| InChI Key: | ZDJGIXIKNMMOKS-SFTDATJTSA-N |