4-(1-benzyl-1H-pyrazol-4-yl)-5-[(4-fluorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(1-benzyl-1H-pyrazol-4-yl)-5-[(4-fluorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol
4-(1-benzyl-1H-pyrazol-4-yl)-5-[(4-fluorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-9803 |
| Compound Name: | 4-(1-benzyl-1H-pyrazol-4-yl)-5-[(4-fluorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 381.43 |
| Molecular Formula: | C19 H16 F N5 O S |
| Smiles: | C(c1ccccc1)n1cc(cn1)n1c(COc2ccc(cc2)F)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.5886 |
| logD: | 1.9117 |
| logSw: | -2.5806 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.439 |
| InChI Key: | FXMLXBRMLKWHMO-UHFFFAOYSA-N |