ethyl 2-{2-[(3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[(3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamido}benzoate
ethyl 2-{2-[(3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamido}benzoate
Compound characteristics
Compound ID: | G856-3777 |
Compound Name: | ethyl 2-{2-[(3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamido}benzoate |
Molecular Weight: | 405.45 |
Molecular Formula: | C16 H15 N5 O4 S2 |
Smiles: | CCOC(c1ccccc1NC(CSC1=NN2C(=NN=C(C)C2=O)S1)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.8385 |
logD: | 2.8229 |
logSw: | -3.4419 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 90.894 |
InChI Key: | AVYYTRFSMTXZKA-UHFFFAOYSA-N |