N-{6-[rel-(5aR,8aR)-7-(2,5-difluorobenzoyl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}-2-methylpropanamide
Chemical Structure Depiction of
N-{6-[rel-(5aR,8aR)-7-(2,5-difluorobenzoyl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}-2-methylpropanamide
N-{6-[rel-(5aR,8aR)-7-(2,5-difluorobenzoyl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}-2-methylpropanamide
Compound characteristics
Compound ID: | SD16-0932 |
Compound Name: | N-{6-[rel-(5aR,8aR)-7-(2,5-difluorobenzoyl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}-2-methylpropanamide |
Molecular Weight: | 442.51 |
Molecular Formula: | C24 H28 F2 N4 O2 |
Smiles: | CC(C)C(Nc1ccc(nc1)N1CCCC[C@@H]2CN(C[C@H]12)C(c1cc(ccc1F)F)=O)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 4.0509 |
logD: | 4.0506 |
logSw: | -4.013 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 51.885 |
InChI Key: | BQMIWHYXRYXYKU-HRAATJIYSA-N |