N-{6-[rel-(5aR,8aR)-7-(3-fluoro-4-methoxybenzoyl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}-2-methylpropanamide
Chemical Structure Depiction of
N-{6-[rel-(5aR,8aR)-7-(3-fluoro-4-methoxybenzoyl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}-2-methylpropanamide
N-{6-[rel-(5aR,8aR)-7-(3-fluoro-4-methoxybenzoyl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}-2-methylpropanamide
Compound characteristics
| Compound ID: | SD16-0931 |
| Compound Name: | N-{6-[rel-(5aR,8aR)-7-(3-fluoro-4-methoxybenzoyl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}-2-methylpropanamide |
| Molecular Weight: | 454.54 |
| Molecular Formula: | C25 H31 F N4 O3 |
| Smiles: | CC(C)C(Nc1ccc(nc1)N1CCCC[C@@H]2CN(C[C@H]12)C(c1ccc(c(c1)F)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6026 |
| logD: | 3.6024 |
| logSw: | -3.6108 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.515 |
| InChI Key: | YIJXESILJHGLJZ-GHTZIAJQSA-N |