6-(2H-1,3-benzodioxol-5-yl)-3-(propan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-(2H-1,3-benzodioxol-5-yl)-3-(propan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-(2H-1,3-benzodioxol-5-yl)-3-(propan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
Compound ID: | D221-0203 |
Compound Name: | 6-(2H-1,3-benzodioxol-5-yl)-3-(propan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
Molecular Weight: | 288.33 |
Molecular Formula: | C13 H12 N4 O2 S |
Smiles: | CC(C)c1nnc2n1nc(c1ccc3c(c1)OCO3)s2 |
Stereo: | ACHIRAL |
logP: | 2.7732 |
logD: | 2.7732 |
logSw: | -3.1152 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 51.109 |
InChI Key: | MTHDHFUGECOBQY-UHFFFAOYSA-N |