5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol
5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8667 |
| Compound Name: | 5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 343.39 |
| Molecular Formula: | C15 H19 F2 N3 O2 S |
| Smiles: | CCOc1cc(ccc1OC(F)F)c1nnc(n1CC(C)C)S |
| Stereo: | ACHIRAL |
| logP: | 3.2099 |
| logD: | 2.8655 |
| logSw: | -3.3344 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.888 |
| InChI Key: | LOLQUCBPTFVYDS-UHFFFAOYSA-N |