rel-(3R,7aS)-2-(3,4-dichlorophenyl)-3-(3,4-difluorophenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-2-(3,4-dichlorophenyl)-3-(3,4-difluorophenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-2-(3,4-dichlorophenyl)-3-(3,4-difluorophenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0113 |
| Compound Name: | rel-(3R,7aS)-2-(3,4-dichlorophenyl)-3-(3,4-difluorophenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 383.22 |
| Molecular Formula: | C18 H14 Cl2 F2 N2 O |
| Smiles: | C1C[C@H]2C(N(c3ccc(c(c3)[Cl])[Cl])[C@H](c3ccc(c(c3)F)F)N2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.8261 |
| logD: | 4.7947 |
| logSw: | -5.171 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 19.1812 |
| InChI Key: | WQARGZPSBOPYGK-IRXDYDNUSA-N |