methyl 2-{2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-4-phenylthiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-4-phenylthiophene-3-carboxylate
methyl 2-{2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-4-phenylthiophene-3-carboxylate
Compound characteristics
Compound ID: | 3993-2536 |
Compound Name: | methyl 2-{2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-4-phenylthiophene-3-carboxylate |
Molecular Weight: | 488.59 |
Molecular Formula: | C25 H20 N4 O3 S2 |
Smiles: | Cc1cc2nnc(n2c2ccccc12)SCC(Nc1c(C(=O)OC)c(cs1)c1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 5.0958 |
logD: | 5.0849 |
logSw: | -5.0802 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.928 |
InChI Key: | FITLOOMCTGLBMX-UHFFFAOYSA-N |