ethyl 4,5-dimethyl-2-{2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 4,5-dimethyl-2-{2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}thiophene-3-carboxylate
ethyl 4,5-dimethyl-2-{2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}thiophene-3-carboxylate
Compound characteristics
Compound ID: | 3993-2561 |
Compound Name: | ethyl 4,5-dimethyl-2-{2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}thiophene-3-carboxylate |
Molecular Weight: | 454.57 |
Molecular Formula: | C22 H22 N4 O3 S2 |
Smiles: | CCOC(c1c(C)c(C)sc1NC(CSc1nnc2cc(C)c3ccccc3n12)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.5984 |
logD: | 2.5328 |
logSw: | -4.3672 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.779 |
InChI Key: | OPCYKSGTUGJDRE-UHFFFAOYSA-N |