rel-(5aR,8aR)-1-benzyl-7-[3-(1H-imidazol-1-yl)propanoyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-[3-(1H-imidazol-1-yl)propanoyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-[3-(1H-imidazol-1-yl)propanoyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0234 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-[3-(1H-imidazol-1-yl)propanoyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 366.46 |
| Molecular Formula: | C21 H26 N4 O2 |
| Smiles: | C1CC(N(Cc2ccccc2)[C@H]2CN(C[C@H]2C1)C(CCn1ccnc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9378 |
| logD: | 0.8509 |
| logSw: | -1.2239 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.458 |
| InChI Key: | ILJOTIKCRDYPDN-OALUTQOASA-N |