5-(2H-1,3-benzodioxol-5-yl)-4-(3-chloro-4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(2H-1,3-benzodioxol-5-yl)-4-(3-chloro-4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
5-(2H-1,3-benzodioxol-5-yl)-4-(3-chloro-4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8017-6691 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-4-(3-chloro-4-fluorophenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 349.77 |
| Molecular Formula: | C15 H9 Cl F N3 O2 S |
| Smiles: | C1Oc2ccc(cc2O1)c1nnc(n1c1ccc(c(c1)[Cl])F)S |
| Stereo: | ACHIRAL |
| logP: | 3.8011 |
| logD: | 2.2586 |
| logSw: | -4.496 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.573 |
| InChI Key: | IGZOLLJZGUWMHI-UHFFFAOYSA-N |