rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(2,3-dimethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(2,3-dimethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(2,3-dimethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0230 |
| Compound Name: | rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(2,3-dimethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 402.88 |
| Molecular Formula: | C21 H23 Cl N2 O4 |
| Smiles: | COc1ccc(cc1N1C([C@@H]2CCCN2[C@H]1c1cccc(c1OC)OC)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3559 |
| logD: | 1.1633 |
| logSw: | -3.6373 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.858 |
| InChI Key: | RYDHPGINWGXSGQ-YWZLYKJASA-N |