6-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | 8019-0169 |
| Compound Name: | 6-(2H-1,3-benzodioxol-5-yl)-3-(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)c1nnc2n1nc(c1ccc3c(c1)OCO3)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.5953 |
| logD: | 3.5953 |
| logSw: | -3.7925 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.381 |
| InChI Key: | BTDQDUAIFFLLGO-UHFFFAOYSA-N |