rel-(5aR,8aR)-7-(6-methoxypyridine-3-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-(6-methoxypyridine-3-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-(6-methoxypyridine-3-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0080 |
| Compound Name: | rel-(5aR,8aR)-7-(6-methoxypyridine-3-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 289.33 |
| Molecular Formula: | C15 H19 N3 O3 |
| Smiles: | COc1ccc(cn1)C(N1C[C@H]2CCCC(N[C@H]2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.2308 |
| logD: | 0.2308 |
| logSw: | -1.7602 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.463 |
| InChI Key: | WHCVPAJBUIWLIW-RYUDHWBXSA-N |