1-{2-[7-(2,6-dimethoxypyridine-3-carbonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}propan-1-one
Chemical Structure Depiction of
1-{2-[7-(2,6-dimethoxypyridine-3-carbonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}propan-1-one
1-{2-[7-(2,6-dimethoxypyridine-3-carbonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}propan-1-one
Compound characteristics
| Compound ID: | S923-0860 |
| Compound Name: | 1-{2-[7-(2,6-dimethoxypyridine-3-carbonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}propan-1-one |
| Molecular Weight: | 442.52 |
| Molecular Formula: | C22 H30 N6 O4 |
| Smiles: | CCC(N1CCCCC1c1nnc2CCN(CCn12)C(c1ccc(nc1OC)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5673 |
| logD: | 1.5673 |
| logSw: | -2.3535 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.166 |
| InChI Key: | RXQIBCFUVBPKFJ-INIZCTEOSA-N |