rel-(5aR,8aR)-N-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,8aR)-N-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
rel-(5aR,8aR)-N-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Compound characteristics
| Compound ID: | SB66-0382 |
| Compound Name: | rel-(5aR,8aR)-N-[(4-fluorophenyl)methyl]-1-[(4-methylphenyl)methyl]-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide |
| Molecular Weight: | 409.5 |
| Molecular Formula: | C24 H28 F N3 O2 |
| Smiles: | Cc1ccc(CN2C(CCC[C@@H]3CN(C[C@H]23)C(NCc2ccc(cc2)F)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1046 |
| logD: | 3.1046 |
| logSw: | -3.1614 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.327 |
| InChI Key: | JTWIDCHMJJHXLS-RBBKRZOGSA-N |