rel-(5aR,8aR)-N-benzyl-1-[(4-methylphenyl)methyl]-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,8aR)-N-benzyl-1-[(4-methylphenyl)methyl]-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
rel-(5aR,8aR)-N-benzyl-1-[(4-methylphenyl)methyl]-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Compound characteristics
| Compound ID: | SB66-0363 |
| Compound Name: | rel-(5aR,8aR)-N-benzyl-1-[(4-methylphenyl)methyl]-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide |
| Molecular Weight: | 391.51 |
| Molecular Formula: | C24 H29 N3 O2 |
| Smiles: | Cc1ccc(CN2C(CCC[C@@H]3CN(C[C@H]23)C(NCc2ccccc2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0756 |
| logD: | 3.0756 |
| logSw: | -3.1756 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.327 |
| InChI Key: | DZQPIGQPRJQNSE-VXKWHMMOSA-N |