rel-(5aR,8aR)-1-benzyl-7-(pyridine-4-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-(pyridine-4-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-(pyridine-4-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-1106 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-(pyridine-4-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 349.43 |
| Molecular Formula: | C21 H23 N3 O2 |
| Smiles: | C1CC(N(Cc2ccccc2)[C@H]2CN(C[C@H]2C1)C(c1ccncc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3704 |
| logD: | 1.3681 |
| logSw: | -1.408 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.613 |
| InChI Key: | SKTGMWWFTKOLGR-OALUTQOASA-N |