3-[(4-methoxyphenyl)methyl]-6-{2-[3-(trifluoromethyl)phenyl]ethenyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-[(4-methoxyphenyl)methyl]-6-{2-[3-(trifluoromethyl)phenyl]ethenyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-[(4-methoxyphenyl)methyl]-6-{2-[3-(trifluoromethyl)phenyl]ethenyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
Compound ID: | 7493-0294 |
Compound Name: | 3-[(4-methoxyphenyl)methyl]-6-{2-[3-(trifluoromethyl)phenyl]ethenyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
Molecular Weight: | 416.42 |
Molecular Formula: | C20 H15 F3 N4 O S |
Smiles: | COc1ccc(Cc2nnc3n2nc(/C=C/c2cccc(c2)C(F)(F)F)s3)cc1 |
Stereo: | ACHIRAL |
logP: | 4.5588 |
logD: | 4.5588 |
logSw: | -4.5679 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 42.737 |
InChI Key: | PJMMHXIDDPSTGS-UHFFFAOYSA-N |