4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-{3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-{3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol
4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-{3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-4156 |
| Compound Name: | 4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-{3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 383.39 |
| Molecular Formula: | C16 H16 F3 N5 O S |
| Smiles: | Cc1c(cn(C)n1)n1c(c2cccc(COCC(F)(F)F)c2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.314 |
| logD: | 0.4684 |
| logSw: | -2.3401 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.753 |
| InChI Key: | QRKCQFMTTNUUCO-UHFFFAOYSA-N |