4-(2-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(2-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
4-(2-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8013-2042 |
| Compound Name: | 4-(2-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 288.76 |
| Molecular Formula: | C13 H9 Cl N4 S |
| Smiles: | c1ccc(c(c1)n1c(c2ccncc2)nnc1S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.4581 |
| logD: | 0.4232 |
| logSw: | -3.1051 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.585 |
| InChI Key: | CHCYNQFNYGXOSI-UHFFFAOYSA-N |