rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(2-ethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(2-ethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(2-ethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0225 |
| Compound Name: | rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(2-ethoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 386.88 |
| Molecular Formula: | C21 H23 Cl N2 O3 |
| Smiles: | CCOc1ccccc1[C@H]1N(C([C@@H]2CCCN12)=O)c1cc(ccc1OC)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.0316 |
| logD: | 2.5571 |
| logSw: | -4.4476 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.721 |
| InChI Key: | ZQCKOZFOSVZNJE-JXFKEZNVSA-N |