5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(2,5-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(2,5-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(2,5-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8767 |
| Compound Name: | 5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(2,5-dimethylphenyl)-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(n1c1cc(C)ccc1C)S |
| Stereo: | ACHIRAL |
| logP: | 4.2081 |
| logD: | 1.7071 |
| logSw: | -4.2957 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.059 |
| InChI Key: | JZTDRWGRBOXIEY-UHFFFAOYSA-N |