4-benzyl-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-benzyl-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol
4-benzyl-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y501-8256 |
| Compound Name: | 4-benzyl-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 353.37 |
| Molecular Formula: | C15 H14 F3 N5 S |
| Smiles: | Cc1cc(C(F)(F)F)nn1Cc1nnc(n1Cc1ccccc1)S |
| Stereo: | ACHIRAL |
| logP: | 2.3545 |
| logD: | 1.93 |
| logSw: | -2.3302 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.891 |
| InChI Key: | YNVVBBAJKXFFPK-UHFFFAOYSA-N |