rel-(3R,7aS)-2-(3-chloro-4-methoxyphenyl)-3-(4-methoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-2-(3-chloro-4-methoxyphenyl)-3-(4-methoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-2-(3-chloro-4-methoxyphenyl)-3-(4-methoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0248 |
| Compound Name: | rel-(3R,7aS)-2-(3-chloro-4-methoxyphenyl)-3-(4-methoxyphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 372.85 |
| Molecular Formula: | C20 H21 Cl N2 O3 |
| Smiles: | COc1ccc(cc1)[C@H]1N(C([C@@H]2CCCN12)=O)c1ccc(c(c1)[Cl])OC |
| Stereo: | RELATIVE |
| logP: | 3.4217 |
| logD: | 3.3472 |
| logSw: | -3.8504 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.355 |
| InChI Key: | YRUDRXNNNPBODG-HKUYNNGSSA-N |