5-(quinolin-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(quinolin-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol
5-(quinolin-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 7832-0132 |
| Compound Name: | 5-(quinolin-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 372.37 |
| Molecular Formula: | C18 H11 F3 N4 S |
| Smiles: | c1ccc2c(c1)ccc(c1nnc(n1c1cccc(c1)C(F)(F)F)S)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.3918 |
| logD: | 3.1963 |
| logSw: | -4.8399 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.788 |
| InChI Key: | QKHKWVHBYIJFDT-UHFFFAOYSA-N |