N-{2-[rel-(5aR,8aR)-7-(1-acetylpiperidin-4-yl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}acetamide
Chemical Structure Depiction of
N-{2-[rel-(5aR,8aR)-7-(1-acetylpiperidin-4-yl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}acetamide
N-{2-[rel-(5aR,8aR)-7-(1-acetylpiperidin-4-yl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}acetamide
Compound characteristics
| Compound ID: | SD16-0705 |
| Compound Name: | N-{2-[rel-(5aR,8aR)-7-(1-acetylpiperidin-4-yl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}acetamide |
| Molecular Weight: | 399.54 |
| Molecular Formula: | C22 H33 N5 O2 |
| Smiles: | CC(Nc1cccnc1N1CCCC[C@@H]2CN(C[C@H]12)C1CCN(CC1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.089 |
| logD: | -0.835 |
| logSw: | -1.7168 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.299 |
| InChI Key: | VQNQQIOWSLLDDP-GHTZIAJQSA-N |