rel-(3R,7aS)-3-(5-bromo-2-methoxyphenyl)-2-(4-fluorophenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Chemical Structure Depiction of
rel-(3R,7aS)-3-(5-bromo-2-methoxyphenyl)-2-(4-fluorophenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
rel-(3R,7aS)-3-(5-bromo-2-methoxyphenyl)-2-(4-fluorophenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Compound characteristics
| Compound ID: | C466-0391 |
| Compound Name: | rel-(3R,7aS)-3-(5-bromo-2-methoxyphenyl)-2-(4-fluorophenyl)hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one |
| Molecular Weight: | 405.26 |
| Molecular Formula: | C19 H18 Br F N2 O2 |
| Smiles: | COc1ccc(cc1[C@H]1N(C([C@@H]2CCCN12)=O)c1ccc(cc1)F)[Br] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.9627 |
| logD: | 3.6029 |
| logSw: | -4.1085 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.8116 |
| InChI Key: | LCFPIERQBFFEKX-WMZOPIPTSA-N |