rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(3-methoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(3-methoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(3-methoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0223 |
| Compound Name: | rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(3-methoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 372.85 |
| Molecular Formula: | C20 H21 Cl N2 O3 |
| Smiles: | COc1cccc(c1)[C@H]1N(C([C@@H]2CCCN12)=O)c1cc(ccc1OC)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5095 |
| logD: | 1.3414 |
| logSw: | -3.8751 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.055 |
| InChI Key: | QJAFGRANXHTGNW-LPHOPBHVSA-N |