rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(2-methylphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(2-methylphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(2-methylphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0218 |
| Compound Name: | rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-(2-methylphenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 356.85 |
| Molecular Formula: | C20 H21 Cl N2 O2 |
| Smiles: | Cc1ccccc1[C@H]1N(C([C@@H]2CCCN12)=O)c1cc(ccc1OC)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.9202 |
| logD: | 3.2991 |
| logSw: | -4.3033 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.5107 |
| InChI Key: | JKQOLQQTIXJLTQ-LPHOPBHVSA-N |