rel-(5aR,8aR)-7-[(5-bromo-2-fluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-[(5-bromo-2-fluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-[(5-bromo-2-fluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0953 |
| Compound Name: | rel-(5aR,8aR)-7-[(5-bromo-2-fluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 449.34 |
| Molecular Formula: | C22 H23 Br F2 N2 O |
| Smiles: | C1CC(N(Cc2cccc(c2)F)[C@H]2CN(Cc3cc(ccc3F)[Br])C[C@H]2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.3228 |
| logD: | 4.1649 |
| logSw: | -4.4189 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 20.2687 |
| InChI Key: | QFZZTUIVOFCLNN-HRAATJIYSA-N |