N-{2-[rel-(5aR,8aR)-7-[(pyridin-4-yl)acetyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}acetamide
Chemical Structure Depiction of
N-{2-[rel-(5aR,8aR)-7-[(pyridin-4-yl)acetyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}acetamide
N-{2-[rel-(5aR,8aR)-7-[(pyridin-4-yl)acetyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}acetamide
Compound characteristics
| Compound ID: | SD16-0711 |
| Compound Name: | N-{2-[rel-(5aR,8aR)-7-[(pyridin-4-yl)acetyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}acetamide |
| Molecular Weight: | 393.49 |
| Molecular Formula: | C22 H27 N5 O2 |
| Smiles: | CC(Nc1cccnc1N1CCCC[C@@H]2CN(C[C@H]12)C(Cc1ccncc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.795 |
| logD: | 0.7803 |
| logSw: | -1.1957 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.367 |
| InChI Key: | NSRZKWUGRACYKG-AZUAARDMSA-N |