4-(4-chloro-2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(4-chloro-2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
4-(4-chloro-2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 5742-1013 |
| Compound Name: | 4-(4-chloro-2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 302.78 |
| Molecular Formula: | C14 H11 Cl N4 S |
| Smiles: | Cc1cc(ccc1n1c(c2ccncc2)nnc1S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.5197 |
| logD: | 1.0187 |
| logSw: | -3.7724 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.585 |
| InChI Key: | YFHIRGRRWNBCGB-UHFFFAOYSA-N |