rel-(5aR,8aR)-2-oxo-N-(2-phenylethyl)octahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,8aR)-2-oxo-N-(2-phenylethyl)octahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
rel-(5aR,8aR)-2-oxo-N-(2-phenylethyl)octahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Compound characteristics
| Compound ID: | SB66-0009 |
| Compound Name: | rel-(5aR,8aR)-2-oxo-N-(2-phenylethyl)octahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide |
| Molecular Weight: | 301.39 |
| Molecular Formula: | C17 H23 N3 O2 |
| Smiles: | C1CC(N[C@H]2CN(C[C@H]2C1)C(NCCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2168 |
| logD: | 1.2168 |
| logSw: | -1.7748 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.866 |
| InChI Key: | DEWRIZRFWJDYPR-GJZGRUSLSA-N |