N-{6-[rel-(5aR,8aR)-7-[(4-methoxyphenyl)acetyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}-2-methylpropanamide
Chemical Structure Depiction of
N-{6-[rel-(5aR,8aR)-7-[(4-methoxyphenyl)acetyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}-2-methylpropanamide
N-{6-[rel-(5aR,8aR)-7-[(4-methoxyphenyl)acetyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}-2-methylpropanamide
Compound characteristics
| Compound ID: | SD16-0953 |
| Compound Name: | N-{6-[rel-(5aR,8aR)-7-[(4-methoxyphenyl)acetyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}-2-methylpropanamide |
| Molecular Weight: | 450.58 |
| Molecular Formula: | C26 H34 N4 O3 |
| Smiles: | CC(C)C(Nc1ccc(nc1)N1CCCC[C@@H]2CN(C[C@H]12)C(Cc1ccc(cc1)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.8839 |
| logD: | 3.8826 |
| logSw: | -3.8909 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.901 |
| InChI Key: | RKLAJZOVQGYDRX-OFNKIYASSA-N |