rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-2-oxo-N-(2-phenylethyl)octahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-2-oxo-N-(2-phenylethyl)octahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-2-oxo-N-(2-phenylethyl)octahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Compound characteristics
| Compound ID: | SB66-0107 |
| Compound Name: | rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-2-oxo-N-(2-phenylethyl)octahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide |
| Molecular Weight: | 409.5 |
| Molecular Formula: | C24 H28 F N3 O2 |
| Smiles: | C1CC(N(Cc2cccc(c2)F)[C@H]2CN(C[C@H]2C1)C(NCCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1909 |
| logD: | 3.1909 |
| logSw: | -3.316 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.169 |
| InChI Key: | FQJYIUWLWJETFO-IRLDBZIGSA-N |