4-benzyl-5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-benzyl-5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4H-1,2,4-triazole-3-thiol
4-benzyl-5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y509-0031 |
| Compound Name: | 4-benzyl-5-[4-(difluoromethoxy)-3-ethoxyphenyl]-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(n1Cc1ccccc1)S |
| Stereo: | ACHIRAL |
| logP: | 3.4811 |
| logD: | 2.8507 |
| logSw: | -3.594 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.616 |
| InChI Key: | XUYABSRCWAIPKB-UHFFFAOYSA-N |