5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8766 |
| Compound Name: | 5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 377.41 |
| Molecular Formula: | C18 H17 F2 N3 O2 S |
| Smiles: | CCOc1cc(ccc1OC(F)F)c1nnc(n1c1ccccc1C)S |
| Stereo: | ACHIRAL |
| logP: | 3.6342 |
| logD: | 1.1332 |
| logSw: | -3.8789 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.059 |
| InChI Key: | DETZOCCFHCFIKK-UHFFFAOYSA-N |