1-{2-[7-(pyridine-3-sulfonyl)-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-(pyridine-3-sulfonyl)-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-(pyridine-3-sulfonyl)-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: | S923-0910 |
| Compound Name: | 1-{2-[7-(pyridine-3-sulfonyl)-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: | 418.52 |
| Molecular Formula: | C19 H26 N6 O3 S |
| Smiles: | CCC(N1CCCCC1c1nnc2CCN(CCn12)S(c1cccnc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5482 |
| logD: | 0.5482 |
| logSw: | -1.5466 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.386 |
| InChI Key: | PESVARMBOIUADG-INIZCTEOSA-N |