N-{2-[rel-(5aR,8aR)-7-(oxan-4-yl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}acetamide
Chemical Structure Depiction of
N-{2-[rel-(5aR,8aR)-7-(oxan-4-yl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}acetamide
N-{2-[rel-(5aR,8aR)-7-(oxan-4-yl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}acetamide
Compound characteristics
| Compound ID: | SD16-0697 |
| Compound Name: | N-{2-[rel-(5aR,8aR)-7-(oxan-4-yl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}acetamide |
| Molecular Weight: | 358.48 |
| Molecular Formula: | C20 H30 N4 O2 |
| Smiles: | CC(Nc1cccnc1N1CCCC[C@@H]2CN(C[C@H]12)C1CCOCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1611 |
| logD: | -0.1287 |
| logSw: | -1.7528 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.012 |
| InChI Key: | DJXXAXDMOHRJCT-APWZRJJASA-N |