rel-(3R,7aS)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0461 |
| Compound Name: | rel-(3R,7aS)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 342.82 |
| Molecular Formula: | C19 H19 Cl N2 O2 |
| Smiles: | COc1cccc(c1)[C@H]1N(C([C@@H]2CCCN12)=O)c1ccc(cc1)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6333 |
| logD: | 2.088 |
| logSw: | -4.0703 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.725 |
| InChI Key: | PPXLBJNNEIGDGJ-ROUUACIJSA-N |