5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8765 |
| Compound Name: | 5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 393.41 |
| Molecular Formula: | C18 H17 F2 N3 O3 S |
| Smiles: | CCOc1cc(ccc1OC(F)F)c1nnc(n1c1ccccc1OC)S |
| Stereo: | ACHIRAL |
| logP: | 3.052 |
| logD: | 1.5095 |
| logSw: | -3.2214 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.689 |
| InChI Key: | UVRGHZNPFUPYJW-UHFFFAOYSA-N |