4-(2H-1,3-benzodioxol-5-yl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol
4-(2H-1,3-benzodioxol-5-yl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8016-6237 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 348.38 |
| Molecular Formula: | C18 H12 N4 O2 S |
| Smiles: | C1Oc2ccc(cc2O1)n1c(c2ccc3ccccc3n2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.4911 |
| logD: | 2.2956 |
| logSw: | -3.6839 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.904 |
| InChI Key: | GPVXFBBLIMUJAK-UHFFFAOYSA-N |