rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(3,4-dichlorophenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(3,4-dichlorophenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(3,4-dichlorophenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0227 |
| Compound Name: | rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(3,4-dichlorophenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 411.71 |
| Molecular Formula: | C19 H17 Cl3 N2 O2 |
| Smiles: | COc1ccc(cc1N1C([C@@H]2CCCN2[C@H]1c1ccc(c(c1)[Cl])[Cl])=O)[Cl] |
| Stereo: | RELATIVE |
| logP: | 4.9566 |
| logD: | 4.746 |
| logSw: | -5.2103 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.5107 |
| InChI Key: | IRFSSAVFIPYCBC-YJBOKZPZSA-N |