4-({[4-(difluoromethoxy)-3-methoxyphenyl]methylidene}amino)-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-({[4-(difluoromethoxy)-3-methoxyphenyl]methylidene}amino)-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
4-({[4-(difluoromethoxy)-3-methoxyphenyl]methylidene}amino)-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-9847 |
| Compound Name: | 4-({[4-(difluoromethoxy)-3-methoxyphenyl]methylidene}amino)-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 350.29 |
| Molecular Formula: | C12 H10 F4 N4 O2 S |
| Smiles: | COc1cc(/C=N/n2c(C(F)F)nnc2S)ccc1OC(F)F |
| Stereo: | ACHIRAL |
| logP: | 1.3133 |
| logD: | 0.5674 |
| logSw: | -1.995 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.672 |
| InChI Key: | GRVLFWOHDPACLW-UHFFFAOYSA-N |