5-(2H-1,3-benzodioxol-5-yl)-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(2H-1,3-benzodioxol-5-yl)-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
5-(2H-1,3-benzodioxol-5-yl)-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8019-5157 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 357.39 |
| Molecular Formula: | C17 H15 N3 O4 S |
| Smiles: | COc1ccc(c(c1)n1c(c2ccc3c(c2)OCO3)nnc1S)OC |
| Stereo: | ACHIRAL |
| logP: | 3.3273 |
| logD: | 1.7847 |
| logSw: | -3.4791 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.446 |
| InChI Key: | LEGGCYIXFUAHQA-UHFFFAOYSA-N |