5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol
5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8635 |
| Compound Name: | 5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 391.44 |
| Molecular Formula: | C19 H19 F2 N3 O2 S |
| Smiles: | CCOc1cc(ccc1OC(F)F)c1nnc(n1CCc1ccccc1)S |
| Stereo: | ACHIRAL |
| logP: | 3.6306 |
| logD: | 3.2862 |
| logSw: | -3.8273 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.595 |
| InChI Key: | BUZZBMXUVSXCAH-UHFFFAOYSA-N |