rel-(5aR,8aR)-7-(6-methylpyridine-2-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-(6-methylpyridine-2-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-(6-methylpyridine-2-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0017 |
| Compound Name: | rel-(5aR,8aR)-7-(6-methylpyridine-2-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 273.33 |
| Molecular Formula: | C15 H19 N3 O2 |
| Smiles: | Cc1cccc(C(N2C[C@H]3CCCC(N[C@H]3C2)=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4802 |
| logD: | 0.4801 |
| logSw: | -1.7651 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.303 |
| InChI Key: | KAXDNZWQROMIAQ-AAEUAGOBSA-N |