4-(2-ethoxyphenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(2-ethoxyphenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4H-1,2,4-triazole-3-thiol
4-(2-ethoxyphenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y501-9870 |
| Compound Name: | 4-(2-ethoxyphenyl)-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 413.39 |
| Molecular Formula: | C18 H15 F4 N3 O2 S |
| Smiles: | CCOc1ccccc1n1c(c2cccc(c2)OC(C(F)F)(F)F)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 4.3732 |
| logD: | 2.8307 |
| logSw: | -4.4166 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.389 |
| InChI Key: | OYHKBWLMBSKHSN-UHFFFAOYSA-N |