6-[2-(2-methoxyphenyl)ethenyl]-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-[2-(2-methoxyphenyl)ethenyl]-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-[2-(2-methoxyphenyl)ethenyl]-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
Compound ID: | D064-0197 |
Compound Name: | 6-[2-(2-methoxyphenyl)ethenyl]-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
Molecular Weight: | 424.48 |
Molecular Formula: | C21 H20 N4 O4 S |
Smiles: | COc1ccccc1/C=C/c1nn2c(c3cc(c(c(c3)OC)OC)OC)nnc2s1 |
Stereo: | ACHIRAL |
logP: | 3.5978 |
logD: | 3.5978 |
logSw: | -3.8133 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 64.825 |
InChI Key: | JWIQWWFSXAYYOT-UHFFFAOYSA-N |