ethyl 4-(4-methylphenyl)-2-{2-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamido}thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-methylphenyl)-2-{2-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamido}thiophene-3-carboxylate
ethyl 4-(4-methylphenyl)-2-{2-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamido}thiophene-3-carboxylate
Compound characteristics
Compound ID: | 5867-3881 |
Compound Name: | ethyl 4-(4-methylphenyl)-2-{2-[([1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamido}thiophene-3-carboxylate |
Molecular Weight: | 452.55 |
Molecular Formula: | C22 H20 N4 O3 S2 |
Smiles: | CCOC(c1c(csc1NC(CSc1nnc2ccccn12)=O)c1ccc(C)cc1)=O |
Stereo: | ACHIRAL |
logP: | 3.9987 |
logD: | 3.9879 |
logSw: | -4.2541 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.585 |
InChI Key: | VUIJLDXEMWPHKM-UHFFFAOYSA-N |