rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-N-methyl-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-N-methyl-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-N-methyl-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Compound characteristics
| Compound ID: | SB66-0141 |
| Compound Name: | rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-N-methyl-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide |
| Molecular Weight: | 319.38 |
| Molecular Formula: | C17 H22 F N3 O2 |
| Smiles: | CNC(N1C[C@H]2CCCC(N(Cc3cccc(c3)F)[C@H]2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5341 |
| logD: | 1.5341 |
| logSw: | -2.1105 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.749 |
| InChI Key: | RIOZRJCNDFOCBD-HIFRSBDPSA-N |