rel-(5aR,8aR)-1-[(4-methylphenyl)methyl]-2-oxo-N-(2-phenylethyl)octahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,8aR)-1-[(4-methylphenyl)methyl]-2-oxo-N-(2-phenylethyl)octahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
rel-(5aR,8aR)-1-[(4-methylphenyl)methyl]-2-oxo-N-(2-phenylethyl)octahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Compound characteristics
| Compound ID: | SB66-0379 |
| Compound Name: | rel-(5aR,8aR)-1-[(4-methylphenyl)methyl]-2-oxo-N-(2-phenylethyl)octahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide |
| Molecular Weight: | 405.54 |
| Molecular Formula: | C25 H31 N3 O2 |
| Smiles: | Cc1ccc(CN2C(CCC[C@@H]3CN(C[C@H]23)C(NCCc2ccccc2)=O)=O)cc1 |
| Stereo: | RELATIVE |
| logP: | 3.4921 |
| logD: | 3.4921 |
| logSw: | -3.5234 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.169 |
| InChI Key: | ZIRPQTOGBVUZGZ-GOTSBHOMSA-N |