5-(pyridin-4-yl)-4-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(pyridin-4-yl)-4-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazole-3-thiol
5-(pyridin-4-yl)-4-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8020-1402 |
| Compound Name: | 5-(pyridin-4-yl)-4-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 338.31 |
| Molecular Formula: | C14 H9 F3 N4 O S |
| Smiles: | c1cnccc1c1nnc(n1c1ccc(cc1)OC(F)(F)F)S |
| Stereo: | ACHIRAL |
| logP: | 3.2586 |
| logD: | 1.716 |
| logSw: | -3.2452 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.823 |
| InChI Key: | KYSIGRZKZQCYAM-UHFFFAOYSA-N |