4-(4-chloro-3-methylphenyl)-5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
4-(4-chloro-3-methylphenyl)-5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-(4-chloro-3-methylphenyl)-5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | K822-0106 |
| Compound Name: | 4-(4-chloro-3-methylphenyl)-5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 302.78 |
| Molecular Formula: | C14 H11 Cl N4 S |
| Smiles: | Cc1cc(ccc1[Cl])N1C(c2cccnc2)=NNC1=S |
| Stereo: | ACHIRAL |
| logP: | 3.5835 |
| logD: | 2.5448 |
| logSw: | -3.8958 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.491 |
| InChI Key: | WZERBJHPDIOSPU-UHFFFAOYSA-N |