N-{6-[rel-(5aR,8aR)-7-(cyclopropylmethyl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}-2-methylpropanamide
Chemical Structure Depiction of
N-{6-[rel-(5aR,8aR)-7-(cyclopropylmethyl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}-2-methylpropanamide
N-{6-[rel-(5aR,8aR)-7-(cyclopropylmethyl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}-2-methylpropanamide
Compound characteristics
| Compound ID: | SD16-0967 |
| Compound Name: | N-{6-[rel-(5aR,8aR)-7-(cyclopropylmethyl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}-2-methylpropanamide |
| Molecular Weight: | 356.51 |
| Molecular Formula: | C21 H32 N4 O |
| Smiles: | CC(C)C(Nc1ccc(nc1)N1CCCC[C@@H]2CN(CC3CC3)C[C@H]12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5181 |
| logD: | 0.9525 |
| logSw: | -3.3864 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.492 |
| InChI Key: | CGRFQUHFDIEGLG-MJGOQNOKSA-N |