3-(2H-1,3-benzodioxol-5-yl)-6-(4-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-6-(4-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-(2H-1,3-benzodioxol-5-yl)-6-(4-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | 8019-9049 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-6-(4-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 352.37 |
| Molecular Formula: | C17 H12 N4 O3 S |
| Smiles: | COc1ccc(cc1)c1nn2c(c3ccc4c(c3)OCO4)nnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.6127 |
| logD: | 3.6127 |
| logSw: | -3.8278 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.381 |
| InChI Key: | BGXCGHHJQFRHKL-UHFFFAOYSA-N |