rel-(3R,7aS)-2-(3-chloro-4-methoxyphenyl)-3-[4-(dimethylamino)phenyl]hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-2-(3-chloro-4-methoxyphenyl)-3-[4-(dimethylamino)phenyl]hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-2-(3-chloro-4-methoxyphenyl)-3-[4-(dimethylamino)phenyl]hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0237 |
| Compound Name: | rel-(3R,7aS)-2-(3-chloro-4-methoxyphenyl)-3-[4-(dimethylamino)phenyl]hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 385.89 |
| Molecular Formula: | C21 H24 Cl N3 O2 |
| Smiles: | CN(C)c1ccc(cc1)[C@H]1N(C([C@@H]2CCCN12)=O)c1ccc(c(c1)[Cl])OC |
| Stereo: | RELATIVE |
| logP: | 3.5293 |
| logD: | 3.4189 |
| logSw: | -3.918 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.6164 |
| InChI Key: | YNZPHGCURHXVIG-ICSRJNTNSA-N |