N-{6-[rel-(5aR,8aR)-7-(1-ethyl-1H-pyrazole-5-carbonyl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}-2-methylpropanamide
Chemical Structure Depiction of
N-{6-[rel-(5aR,8aR)-7-(1-ethyl-1H-pyrazole-5-carbonyl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}-2-methylpropanamide
N-{6-[rel-(5aR,8aR)-7-(1-ethyl-1H-pyrazole-5-carbonyl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}-2-methylpropanamide
Compound characteristics
| Compound ID: | SD16-0927 |
| Compound Name: | N-{6-[rel-(5aR,8aR)-7-(1-ethyl-1H-pyrazole-5-carbonyl)octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}-2-methylpropanamide |
| Molecular Weight: | 424.55 |
| Molecular Formula: | C23 H32 N6 O2 |
| Smiles: | CCn1c(ccn1)C(N1C[C@H]2CCCCN(c3ccc(cn3)NC(C(C)C)=O)[C@H]2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5148 |
| logD: | 2.5143 |
| logSw: | -2.6553 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.974 |
| InChI Key: | ACTRTPDSYKVQDZ-FXAWDEMLSA-N |