rel-(3R,7aS)-2-(4-chlorophenyl)-3-(2-ethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-2-(4-chlorophenyl)-3-(2-ethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-2-(4-chlorophenyl)-3-(2-ethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0463 |
| Compound Name: | rel-(3R,7aS)-2-(4-chlorophenyl)-3-(2-ethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 356.85 |
| Molecular Formula: | C20 H21 Cl N2 O2 |
| Smiles: | CCOc1ccccc1[C@H]1N(C([C@@H]2CCCN12)=O)c1ccc(cc1)[Cl] |
| Stereo: | RELATIVE |
| logP: | 4.1554 |
| logD: | 3.2678 |
| logSw: | -4.4413 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.3915 |
| InChI Key: | PMPQABVTMXXCGE-HKUYNNGSSA-N |