rel-(3R,7aS)-2-(3-chloro-4-methoxyphenyl)-3-[4-(methylsulfanyl)phenyl]hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-2-(3-chloro-4-methoxyphenyl)-3-[4-(methylsulfanyl)phenyl]hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-2-(3-chloro-4-methoxyphenyl)-3-[4-(methylsulfanyl)phenyl]hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0253 |
| Compound Name: | rel-(3R,7aS)-2-(3-chloro-4-methoxyphenyl)-3-[4-(methylsulfanyl)phenyl]hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 388.91 |
| Molecular Formula: | C20 H21 Cl N2 O2 S |
| Smiles: | COc1ccc(cc1[Cl])N1C([C@@H]2CCCN2[C@H]1c1ccc(cc1)SC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.1586 |
| logD: | 4.0949 |
| logSw: | -4.625 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 26.8116 |
| InChI Key: | NJDWFDNZWJRSDX-HKUYNNGSSA-N |