rel-(5aR,8aR)-N-(2-fluorophenyl)-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,8aR)-N-(2-fluorophenyl)-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
rel-(5aR,8aR)-N-(2-fluorophenyl)-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Compound characteristics
| Compound ID: | SB66-0809 |
| Compound Name: | rel-(5aR,8aR)-N-(2-fluorophenyl)-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide |
| Molecular Weight: | 291.32 |
| Molecular Formula: | C15 H18 F N3 O2 |
| Smiles: | C1CC(N[C@H]2CN(C[C@H]2C1)C(Nc1ccccc1F)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3489 |
| logD: | 1.3489 |
| logSw: | -1.9726 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.004 |
| InChI Key: | LNDODGOPMURKFY-GXFFZTMASA-N |