6-(4-ethoxy-3-methoxyphenyl)-3-[(phenylsulfanyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-(4-ethoxy-3-methoxyphenyl)-3-[(phenylsulfanyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-(4-ethoxy-3-methoxyphenyl)-3-[(phenylsulfanyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
Compound ID: | D727-0220 |
Compound Name: | 6-(4-ethoxy-3-methoxyphenyl)-3-[(phenylsulfanyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
Molecular Weight: | 398.5 |
Molecular Formula: | C19 H18 N4 O2 S2 |
Smiles: | CCOc1ccc(cc1OC)c1nn2c(CSc3ccccc3)nnc2s1 |
Stereo: | ACHIRAL |
logP: | 3.5544 |
logD: | 3.5544 |
logSw: | -3.6995 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 49.538 |
InChI Key: | PHHOZCDOWSTRMK-UHFFFAOYSA-N |