4-(2-ethylphenyl)-5-{4-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(2-ethylphenyl)-5-{4-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol
4-(2-ethylphenyl)-5-{4-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8715 |
| Compound Name: | 4-(2-ethylphenyl)-5-{4-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 459.46 |
| Molecular Formula: | C23 H17 F4 N3 O S |
| Smiles: | CCc1ccccc1n1c(c2ccc(COc3c(c(cc(c3F)F)F)F)cc2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 6.1257 |
| logD: | 3.6246 |
| logSw: | -5.6778 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.5576 |
| InChI Key: | FDWCQXTVJYZSDL-UHFFFAOYSA-N |