rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Compound characteristics
| Compound ID: | SB66-1018 |
| Compound Name: | rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C20 H28 F N3 O2 |
| Smiles: | CC(C)CNC(N1C[C@H]2CCCC(N(Cc3cccc(c3)F)[C@H]2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5537 |
| logD: | 2.5537 |
| logSw: | -2.7554 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.599 |
| InChI Key: | COJBDKCLNNXHNY-AEFFLSMTSA-N |