rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(4-ethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(4-ethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(4-ethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0195 |
| Compound Name: | rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(4-ethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 386.88 |
| Molecular Formula: | C21 H23 Cl N2 O3 |
| Smiles: | CCOc1ccc(cc1)[C@H]1N(C([C@@H]2CCCN12)=O)c1cc(ccc1OC)[Cl] |
| Stereo: | RELATIVE |
| logP: | 3.8887 |
| logD: | 3.3014 |
| logSw: | -4.6541 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.634 |
| InChI Key: | LOCXAWCPIGPLQI-PXNSSMCTSA-N |