4-(3-chloro-4-fluorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(3-chloro-4-fluorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
4-(3-chloro-4-fluorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
Compound ID: | 8017-9698 |
Compound Name: | 4-(3-chloro-4-fluorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol |
Molecular Weight: | 335.78 |
Molecular Formula: | C15 H11 Cl F N3 O S |
Smiles: | COc1ccc(cc1)c1nnc(n1c1ccc(c(c1)[Cl])F)S |
Stereo: | ACHIRAL |
logP: | 3.8629 |
logD: | 2.3203 |
logSw: | -4.466 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 31.0015 |
InChI Key: | FKIDMRMLXQSYNX-UHFFFAOYSA-N |