rel-(5aR,8aR)-1-benzyl-N-(3-methylbutyl)-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-N-(3-methylbutyl)-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
rel-(5aR,8aR)-1-benzyl-N-(3-methylbutyl)-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide
Compound characteristics
| Compound ID: | SB66-1137 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-N-(3-methylbutyl)-2-oxooctahydropyrrolo[3,4-b]azepine-7(1H)-carboxamide |
| Molecular Weight: | 357.5 |
| Molecular Formula: | C21 H31 N3 O2 |
| Smiles: | CC(C)CCNC(N1C[C@H]2CCCC(N(Cc3ccccc3)[C@H]2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1617 |
| logD: | 3.1617 |
| logSw: | -3.2966 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.44 |
| InChI Key: | JFSHISVUHDQHOQ-OALUTQOASA-N |