2-methyl-N-{6-[rel-(5aR,8aR)-7-(1-methyl-1H-pyrrole-2-carbonyl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}propanamide
Chemical Structure Depiction of
2-methyl-N-{6-[rel-(5aR,8aR)-7-(1-methyl-1H-pyrrole-2-carbonyl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}propanamide
2-methyl-N-{6-[rel-(5aR,8aR)-7-(1-methyl-1H-pyrrole-2-carbonyl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}propanamide
Compound characteristics
| Compound ID: | SD16-0887 |
| Compound Name: | 2-methyl-N-{6-[rel-(5aR,8aR)-7-(1-methyl-1H-pyrrole-2-carbonyl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}propanamide |
| Molecular Weight: | 409.53 |
| Molecular Formula: | C23 H31 N5 O2 |
| Smiles: | CC(C)C(Nc1ccc(nc1)N1CCCC[C@@H]2CN(C[C@H]12)C(c1cccn1C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6342 |
| logD: | 3.6337 |
| logSw: | -3.5428 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.301 |
| InChI Key: | YKYAFUPZRRPHDW-XLIONFOSSA-N |