1-(2H-1,3-benzodioxol-5-yl)-2-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-2-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]ethan-1-one
1-(2H-1,3-benzodioxol-5-yl)-2-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 6481-7282 |
| Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-2-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 313.33 |
| Molecular Formula: | C15 H11 N3 O3 S |
| Smiles: | C1Oc2ccc(cc2O1)C(CSc1nnc2ccccn12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2412 |
| logD: | 2.2412 |
| logSw: | -2.7244 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.521 |
| InChI Key: | JWOWDHWRHREXHV-UHFFFAOYSA-N |