4-(2H-1,3-benzodioxol-5-yl)-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol
4-(2H-1,3-benzodioxol-5-yl)-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8018-4107 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 299.31 |
| Molecular Formula: | C13 H9 N5 O2 S |
| Smiles: | C1Oc2ccc(cc2O1)n1c(c2cnccn2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 1.2326 |
| logD: | 0.0984 |
| logSw: | -1.177 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.139 |
| InChI Key: | GXONPQQVZAKFLZ-UHFFFAOYSA-N |