4-(2,5-dimethoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(2,5-dimethoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
4-(2,5-dimethoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 5742-1015 |
| Compound Name: | 4-(2,5-dimethoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 314.36 |
| Molecular Formula: | C15 H14 N4 O2 S |
| Smiles: | COc1ccc(c(c1)n1c(c2ccncc2)nnc1S)OC |
| Stereo: | ACHIRAL |
| logP: | 2.1576 |
| logD: | 0.615 |
| logSw: | -2.1377 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.759 |
| InChI Key: | YPRSDTWIAFEHDO-UHFFFAOYSA-N |