ethyl 2-{2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-5-phenylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-5-phenylthiophene-3-carboxylate
ethyl 2-{2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-5-phenylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4112-4210 |
| Compound Name: | ethyl 2-{2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-5-phenylthiophene-3-carboxylate |
| Molecular Weight: | 502.61 |
| Molecular Formula: | C26 H22 N4 O3 S2 |
| Smiles: | CCOC(c1cc(c2ccccc2)sc1NC(CSc1nnc2cc(C)c3ccccc3n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9521 |
| logD: | 5.9412 |
| logSw: | -5.6325 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.508 |
| InChI Key: | PIBFWDJYSKOPOA-UHFFFAOYSA-N |