rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(4-ethoxy-3-methoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(4-ethoxy-3-methoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(4-ethoxy-3-methoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0202 |
| Compound Name: | rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(4-ethoxy-3-methoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 416.9 |
| Molecular Formula: | C22 H25 Cl N2 O4 |
| Smiles: | CCOc1ccc(cc1OC)[C@H]1N(C([C@@H]2CCCN12)=O)c1cc(ccc1OC)[Cl] |
| Stereo: | RELATIVE |
| logP: | 3.4975 |
| logD: | 1.588 |
| logSw: | -4.0779 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.351 |
| InChI Key: | XREMXXYPIHMRFV-KKSFZXQISA-N |