N-{2-[rel-(5aR,8aR)-7-[(3-methylphenoxy)acetyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}acetamide
Chemical Structure Depiction of
N-{2-[rel-(5aR,8aR)-7-[(3-methylphenoxy)acetyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}acetamide
N-{2-[rel-(5aR,8aR)-7-[(3-methylphenoxy)acetyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}acetamide
Compound characteristics
| Compound ID: | SD16-0785 |
| Compound Name: | N-{2-[rel-(5aR,8aR)-7-[(3-methylphenoxy)acetyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}acetamide |
| Molecular Weight: | 422.53 |
| Molecular Formula: | C24 H30 N4 O3 |
| Smiles: | CC(Nc1cccnc1N1CCCC[C@@H]2CN(C[C@H]12)C(COc1cccc(C)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1447 |
| logD: | 2.1426 |
| logSw: | -2.57 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.438 |
| InChI Key: | OBJQHWNWZNKJRE-SIKLNZKXSA-N |