rel-(5aR,8aR)-1-benzyl-7-(5-methylpyridine-3-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-(5-methylpyridine-3-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-(5-methylpyridine-3-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0284 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-(5-methylpyridine-3-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 363.46 |
| Molecular Formula: | C22 H25 N3 O2 |
| Smiles: | Cc1cc(cnc1)C(N1C[C@H]2CCCC(N(Cc3ccccc3)[C@H]2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8756 |
| logD: | 1.8753 |
| logSw: | -2.0056 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.792 |
| InChI Key: | BUCBORSYUXXAIG-ICSRJNTNSA-N |