rel-(5aR,8aR)-1-benzyl-7-(6-methoxypyridine-3-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-(6-methoxypyridine-3-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-(6-methoxypyridine-3-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0299 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-(6-methoxypyridine-3-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 379.46 |
| Molecular Formula: | C22 H25 N3 O3 |
| Smiles: | COc1ccc(cn1)C(N1C[C@H]2CCCC(N(Cc3ccccc3)[C@H]2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0828 |
| logD: | 2.0828 |
| logSw: | -2.299 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.766 |
| InChI Key: | VJKCFVCUZXVEFL-OALUTQOASA-N |