4-(2H-1,3-benzodioxol-5-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
4-(2H-1,3-benzodioxol-5-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8018-4108 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 298.32 |
| Molecular Formula: | C14 H10 N4 O2 S |
| Smiles: | C1Oc2ccc(cc2O1)n1c(c2cccnc2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 1.761 |
| logD: | 0.2821 |
| logSw: | -1.2648 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.091 |
| InChI Key: | HNBDFTWCYSPLCP-UHFFFAOYSA-N |