rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-[4-(methylsulfanyl)phenyl]hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-[4-(methylsulfanyl)phenyl]hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-2-(5-chloro-2-methoxyphenyl)-3-[4-(methylsulfanyl)phenyl]hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0209 |
| Compound Name: | rel-(3R,7aS)-2-(5-chloro-2-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(cc1N1C([C@@H]2CCCN2[C@H]1c1ccc(cc1)SC)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.2391 |
| logD: | 3.7047 |
| logSw: | -4.8483 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 26.5107 |
| InChI Key: | JTNXYYHVXFGHLB-LPHOPBHVSA-N |