4-(1-benzyl-1H-pyrazol-4-yl)-5-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(1-benzyl-1H-pyrazol-4-yl)-5-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol
4-(1-benzyl-1H-pyrazol-4-yl)-5-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-9814 |
| Compound Name: | 4-(1-benzyl-1H-pyrazol-4-yl)-5-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 405.4 |
| Molecular Formula: | C17 H14 F3 N7 S |
| Smiles: | C(c1ccccc1)n1cc(cn1)n1c(Cn2ccc(C(F)(F)F)n2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 1.6166 |
| logD: | 0.9397 |
| logSw: | -1.312 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.6 |
| InChI Key: | KQXKFVBSFVHUCQ-UHFFFAOYSA-N |