N-{6-[rel-(5aR,8aR)-7-[3-(2-methoxyphenyl)propanoyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}-2-methylpropanamide
Chemical Structure Depiction of
N-{6-[rel-(5aR,8aR)-7-[3-(2-methoxyphenyl)propanoyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}-2-methylpropanamide
N-{6-[rel-(5aR,8aR)-7-[3-(2-methoxyphenyl)propanoyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}-2-methylpropanamide
Compound characteristics
| Compound ID: | SD16-0902 |
| Compound Name: | N-{6-[rel-(5aR,8aR)-7-[3-(2-methoxyphenyl)propanoyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}-2-methylpropanamide |
| Molecular Weight: | 464.61 |
| Molecular Formula: | C27 H36 N4 O3 |
| Smiles: | CC(C)C(Nc1ccc(nc1)N1CCCC[C@@H]2CN(C[C@H]12)C(CCc1ccccc1OC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.1983 |
| logD: | 4.1972 |
| logSw: | -4.0268 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.988 |
| InChI Key: | SQXZJXVSKTURGF-GGAORHGYSA-N |