4-({[3-(difluoromethyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2,6-dimethoxyphenol
Chemical Structure Depiction of
4-({[3-(difluoromethyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2,6-dimethoxyphenol
4-({[3-(difluoromethyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2,6-dimethoxyphenol
Compound characteristics
| Compound ID: | Y508-9834 |
| Compound Name: | 4-({[3-(difluoromethyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2,6-dimethoxyphenol |
| Molecular Weight: | 330.31 |
| Molecular Formula: | C12 H12 F2 N4 O3 S |
| Smiles: | COc1cc(/C=N/n2c(C(F)F)nnc2S)cc(c1O)OC |
| Stereo: | ACHIRAL |
| logP: | 0.537 |
| logD: | -0.2089 |
| logSw: | -1.0478 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.09 |
| InChI Key: | MYBNYUJEUPJZOV-UHFFFAOYSA-N |