4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol
4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-9591 |
| Compound Name: | 4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 433.46 |
| Molecular Formula: | C19 H18 F3 N7 S |
| Smiles: | Cc1ccc(Cn2cc(cn2)n2c(Cn3c(C)cc(C(F)(F)F)n3)nnc2S)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2843 |
| logD: | 1.6073 |
| logSw: | -1.9341 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.14 |
| InChI Key: | NHTILJHCYHPTKW-UHFFFAOYSA-N |