prop-2-en-1-yl 4-methyl-2-{2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 4-methyl-2-{2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-1,3-thiazole-5-carboxylate
prop-2-en-1-yl 4-methyl-2-{2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-1,3-thiazole-5-carboxylate
Compound characteristics
Compound ID: | D278-0695 |
Compound Name: | prop-2-en-1-yl 4-methyl-2-{2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-1,3-thiazole-5-carboxylate |
Molecular Weight: | 453.54 |
Molecular Formula: | C21 H19 N5 O3 S2 |
Smiles: | Cc1cc2nnc(n2c2ccccc12)SCC(Nc1nc(C)c(C(=O)OCC=C)s1)=O |
Stereo: | ACHIRAL |
logP: | 4.0881 |
logD: | 4.0482 |
logSw: | -4.1876 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 75.902 |
InChI Key: | RMHZZGXXTQDLFY-UHFFFAOYSA-N |