rel-(5aR,8aR)-1-benzyl-N-(2,5-difluorophenyl)-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-N-(2,5-difluorophenyl)-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
rel-(5aR,8aR)-1-benzyl-N-(2,5-difluorophenyl)-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Compound characteristics
| Compound ID: | SB66-1135 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-N-(2,5-difluorophenyl)-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide |
| Molecular Weight: | 399.44 |
| Molecular Formula: | C22 H23 F2 N3 O2 |
| Smiles: | C1CC(N(Cc2ccccc2)[C@H]2CN(C[C@H]2C1)C(Nc1cc(ccc1F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.588 |
| logD: | 3.5874 |
| logSw: | -3.7811 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.307 |
| InChI Key: | FICXMGUJKHSABP-OXJNMPFZSA-N |