N-{6-[rel-(5aR,8aR)-7-(cyclohexylacetyl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}-2-methylpropanamide
Chemical Structure Depiction of
N-{6-[rel-(5aR,8aR)-7-(cyclohexylacetyl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}-2-methylpropanamide
N-{6-[rel-(5aR,8aR)-7-(cyclohexylacetyl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}-2-methylpropanamide
Compound characteristics
| Compound ID: | SD16-0958 |
| Compound Name: | N-{6-[rel-(5aR,8aR)-7-(cyclohexylacetyl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}-2-methylpropanamide |
| Molecular Weight: | 426.6 |
| Molecular Formula: | C25 H38 N4 O2 |
| Smiles: | CC(C)C(Nc1ccc(nc1)N1CCCC[C@@H]2CN(C[C@H]12)C(CC1CCCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.6526 |
| logD: | 4.6516 |
| logSw: | -4.1682 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.549 |
| InChI Key: | WREXVRFLJDJNKZ-IRLDBZIGSA-N |