4-(2H-1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
4-(2H-1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8019-7516 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 357.39 |
| Molecular Formula: | C17 H15 N3 O4 S |
| Smiles: | COc1ccc(cc1OC)c1nnc(n1c1ccc2c(c1)OCO2)S |
| Stereo: | ACHIRAL |
| logP: | 2.864 |
| logD: | 1.3214 |
| logSw: | -3.1985 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.834 |
| InChI Key: | IECATIPDEVRGFW-UHFFFAOYSA-N |