4-(1-benzyl-1H-pyrazol-4-yl)-5-{[4-chloro-5-methyl-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-{[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol
4-(1-benzyl-1H-pyrazol-4-yl)-5-{[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-8948 |
| Compound Name: | 4-(1-benzyl-1H-pyrazol-4-yl)-5-{[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 453.87 |
| Molecular Formula: | C18 H15 Cl F3 N7 S |
| Smiles: | Cc1c(c(C(F)(F)F)nn1Cc1nnc(n1c1cnn(Cc2ccccc2)c1)S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.3396 |
| logD: | 1.6626 |
| logSw: | -3.2441 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.686 |
| InChI Key: | SWXLMOKMZHNIPD-UHFFFAOYSA-N |