N-{2-[rel-(5aR,8aR)-7-[(1-methyl-1H-pyrazol-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}acetamide
Chemical Structure Depiction of
N-{2-[rel-(5aR,8aR)-7-[(1-methyl-1H-pyrazol-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}acetamide
N-{2-[rel-(5aR,8aR)-7-[(1-methyl-1H-pyrazol-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}acetamide
Compound characteristics
| Compound ID: | SD16-0760 |
| Compound Name: | N-{2-[rel-(5aR,8aR)-7-[(1-methyl-1H-pyrazol-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}acetamide |
| Molecular Weight: | 368.48 |
| Molecular Formula: | C20 H28 N6 O |
| Smiles: | CC(Nc1cccnc1N1CCCC[C@@H]2CN(Cc3cnn(C)c3)C[C@H]12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.477 |
| logD: | -3.4554 |
| logSw: | -1.7062 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.359 |
| InChI Key: | KNGFRJGCBKUCFT-MJGOQNOKSA-N |