6-[2-(4-methylphenyl)ethenyl]-3-(pyridin-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-[2-(4-methylphenyl)ethenyl]-3-(pyridin-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-[2-(4-methylphenyl)ethenyl]-3-(pyridin-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
Compound ID: | D181-0028 |
Compound Name: | 6-[2-(4-methylphenyl)ethenyl]-3-(pyridin-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
Molecular Weight: | 319.39 |
Molecular Formula: | C17 H13 N5 S |
Smiles: | Cc1ccc(/C=C/c2nn3c(c4cccnc4)nnc3s2)cc1 |
Stereo: | ACHIRAL |
logP: | 2.9427 |
logD: | 2.9423 |
logSw: | -2.7545 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 43.735 |
InChI Key: | PFKLRZGHLJMBIS-UHFFFAOYSA-N |