4-({[3-(difluoromethyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2-ethoxyphenol
Chemical Structure Depiction of
4-({[3-(difluoromethyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2-ethoxyphenol
4-({[3-(difluoromethyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2-ethoxyphenol
Compound characteristics
| Compound ID: | Y508-9839 |
| Compound Name: | 4-({[3-(difluoromethyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2-ethoxyphenol |
| Molecular Weight: | 314.31 |
| Molecular Formula: | C12 H12 F2 N4 O2 S |
| Smiles: | CCOc1cc(/C=N/n2c(C(F)F)nnc2S)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 1.2245 |
| logD: | 0.4787 |
| logSw: | -1.8381 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.109 |
| InChI Key: | YXOYIXDOFMKHPR-UHFFFAOYSA-N |