rel-(3R,7aS)-3-(4-ethylphenyl)-2-(4-methoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-3-(4-ethylphenyl)-2-(4-methoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-3-(4-ethylphenyl)-2-(4-methoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0073 |
| Compound Name: | rel-(3R,7aS)-3-(4-ethylphenyl)-2-(4-methoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 336.43 |
| Molecular Formula: | C21 H24 N2 O2 |
| Smiles: | CCc1ccc(cc1)[C@H]1N(C([C@@H]2CCCN12)=O)c1ccc(cc1)OC |
| Stereo: | RELATIVE |
| logP: | 3.9619 |
| logD: | 3.2432 |
| logSw: | -3.9728 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.725 |
| InChI Key: | MCKKTZFQSKELSC-WOJBJXKFSA-N |