4-(2H-1,3-benzodioxol-5-yl)-5-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-5-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol
4-(2H-1,3-benzodioxol-5-yl)-5-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8017-2352 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-5-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 369.42 |
| Molecular Formula: | C16 H11 N5 O2 S2 |
| Smiles: | C1Oc2ccc(cc2O1)n1c(c2cc(c3cccs3)n[nH]2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.4107 |
| logD: | 2.5199 |
| logSw: | -3.7234 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.081 |
| InChI Key: | GTVUKHPCSODEIA-UHFFFAOYSA-N |