4-(3-chloro-4-methylphenyl)-5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
4-(3-chloro-4-methylphenyl)-5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-(3-chloro-4-methylphenyl)-5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | K822-0113 |
| Compound Name: | 4-(3-chloro-4-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: | Cc1ccc(cc1[Cl])N1C(c2cccnc2)=NNC1=S |
| Stereo: | ACHIRAL |
| logP: | 3.4628 |
| logD: | 0.8056 |
| logSw: | -3.8683 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.491 |
| InChI Key: | BZWVWJXIMCEEFG-UHFFFAOYSA-N |