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 |