rel-(3R,7aS)-3-(4-bromophenyl)-2-(4-fluorophenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-3-(4-bromophenyl)-2-(4-fluorophenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-3-(4-bromophenyl)-2-(4-fluorophenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0384 |
| Compound Name: | rel-(3R,7aS)-3-(4-bromophenyl)-2-(4-fluorophenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 375.24 |
| Molecular Formula: | C18 H16 Br F N2 O |
| Smiles: | C1C[C@H]2C(N(c3ccc(cc3)F)[C@H](c3ccc(cc3)[Br])N2C1)=O |
| Stereo: | RELATIVE |
| logP: | 3.9118 |
| logD: | 3.7595 |
| logSw: | -4.0241 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 19.1812 |
| InChI Key: | QHMCMUAYVCTDJP-IRXDYDNUSA-N |