5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8666 |
| Compound Name: | 5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 407.44 |
| Molecular Formula: | C19 H19 F2 N3 O3 S |
| Smiles: | CCOc1ccc(cc1)n1c(c2ccc(c(c2)OCC)OC(F)F)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.6441 |
| logD: | 2.1016 |
| logSw: | -3.8607 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.483 |
| InChI Key: | WNZKCHUNEPQXLD-UHFFFAOYSA-N |