rel-(3R,7aS)-2-(3,4-dichlorophenyl)-3-(4-ethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-2-(3,4-dichlorophenyl)-3-(4-ethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-2-(3,4-dichlorophenyl)-3-(4-ethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0100 |
| Compound Name: | rel-(3R,7aS)-2-(3,4-dichlorophenyl)-3-(4-ethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 391.3 |
| Molecular Formula: | C20 H20 Cl2 N2 O2 |
| Smiles: | CCOc1ccc(cc1)[C@H]1N(C([C@@H]2CCCN12)=O)c1ccc(c(c1)[Cl])[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.7719 |
| logD: | 4.6975 |
| logSw: | -4.9573 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.3048 |
| InChI Key: | BGMMXTQUFMMEHY-OALUTQOASA-N |