rel-(5aR,8aR)-1-benzyl-7-[(1H-imidazol-1-yl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-[(1H-imidazol-1-yl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-[(1H-imidazol-1-yl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0300 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-[(1H-imidazol-1-yl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 352.43 |
| Molecular Formula: | C20 H24 N4 O2 |
| Smiles: | C1CC(N(Cc2ccccc2)[C@H]2CN(C[C@H]2C1)C(Cn1ccnc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.773 |
| logD: | 0.6093 |
| logSw: | -1.0972 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.479 |
| InChI Key: | NMNGYYQGDKUGPT-MSOLQXFVSA-N |