4-(4-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(4-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
4-(4-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8015-1621 |
| Compound Name: | 4-(4-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 288.76 |
| Molecular Formula: | C13 H9 Cl N4 S |
| Smiles: | c1cc(cnc1)c1nnc(n1c1ccc(cc1)[Cl])S |
| Stereo: | ACHIRAL |
| logP: | 2.4306 |
| logD: | 0.9517 |
| logSw: | -2.6696 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.975 |
| InChI Key: | PVFZQPARKNGFKV-UHFFFAOYSA-N |