rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(3,4-dimethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(3,4-dimethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(3,4-dimethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0200 |
| Compound Name: | rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(3,4-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]1c1ccc(c(c1)OC)OC)=O)[Cl] |
| Stereo: | RELATIVE |
| logP: | 3.1519 |
| logD: | 1.2423 |
| logSw: | -3.649 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.772 |
| InChI Key: | BDOYTMGEJAWMSG-YWZLYKJASA-N |