5-(difluoromethyl)-4-({[3-(ethoxymethyl)-4-methoxyphenyl]methylidene}amino)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(difluoromethyl)-4-({[3-(ethoxymethyl)-4-methoxyphenyl]methylidene}amino)-4H-1,2,4-triazole-3-thiol
5-(difluoromethyl)-4-({[3-(ethoxymethyl)-4-methoxyphenyl]methylidene}amino)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-9859 |
| Compound Name: | 5-(difluoromethyl)-4-({[3-(ethoxymethyl)-4-methoxyphenyl]methylidene}amino)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 342.37 |
| Molecular Formula: | C14 H16 F2 N4 O2 S |
| Smiles: | CCOCc1cc(/C=N/n2c(C(F)F)nnc2S)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.6621 |
| logD: | 0.9162 |
| logSw: | -2.0866 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.039 |
| InChI Key: | KWRYJXPCRIKSPE-UHFFFAOYSA-N |