4-{1-[(2,4-dichlorophenyl)methyl]-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-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-5-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol
4-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-5-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-8939 |
| Compound Name: | 4-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}-5-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 474.29 |
| Molecular Formula: | C17 H12 Cl2 F3 N7 S |
| Smiles: | C(c1ccc(cc1[Cl])[Cl])n1cc(cn1)n1c(Cn2ccc(C(F)(F)F)n2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.0188 |
| logD: | 2.3419 |
| logSw: | -3.3219 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.6 |
| InChI Key: | DLIWHVFHESYWFD-UHFFFAOYSA-N |