rel-(5aR,8aR)-N-(3,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,8aR)-N-(3,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
rel-(5aR,8aR)-N-(3,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Compound characteristics
| Compound ID: | SB66-0980 |
| Compound Name: | rel-(5aR,8aR)-N-(3,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide |
| Molecular Weight: | 441.5 |
| Molecular Formula: | C24 H28 F N3 O4 |
| Smiles: | COc1ccc(cc1OC)NC(N1C[C@H]2CCCC(N(Cc3cccc(c3)F)[C@H]2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6818 |
| logD: | 2.6818 |
| logSw: | -3.0292 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.266 |
| InChI Key: | LFEDZQRXWOJHDC-XLIONFOSSA-N |