rel-(3R,7aS)-2-(4-chlorophenyl)-3-(4-ethylphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-2-(4-chlorophenyl)-3-(4-ethylphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-2-(4-chlorophenyl)-3-(4-ethylphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0453 |
| Compound Name: | rel-(3R,7aS)-2-(4-chlorophenyl)-3-(4-ethylphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 340.85 |
| Molecular Formula: | C20 H21 Cl N2 O |
| Smiles: | CCc1ccc(cc1)[C@H]1N(C([C@@H]2CCCN12)=O)c1ccc(cc1)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.5742 |
| logD: | 3.8555 |
| logSw: | -4.9155 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 19.1812 |
| InChI Key: | LPGVHBRHFWIBCP-OALUTQOASA-N |