4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8016-6235 |
| Compound Name: | 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 312.35 |
| Molecular Formula: | C15 H12 N4 O2 S |
| Smiles: | C1COc2cc(ccc2O1)n1c(c2ccncc2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 1.1319 |
| logD: | -0.4106 |
| logSw: | -1.3493 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.709 |
| InChI Key: | UOTKNTJZPGWBDD-UHFFFAOYSA-N |