ethyl 4,5-dimethyl-2-{2-[(5,7,9-trimethyl[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-[(5,7,9-trimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}thiophene-3-carboxylate
ethyl 4,5-dimethyl-2-{2-[(5,7,9-trimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}thiophene-3-carboxylate
Compound characteristics
| Compound ID: | D308-0350 |
| Compound Name: | ethyl 4,5-dimethyl-2-{2-[(5,7,9-trimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}thiophene-3-carboxylate |
| Molecular Weight: | 482.62 |
| Molecular Formula: | C24 H26 N4 O3 S2 |
| Smiles: | CCOC(c1c(C)c(C)sc1NC(CSc1nnc2cc(C)c3cc(C)cc(C)c3n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6941 |
| logD: | 3.6285 |
| logSw: | -5.5175 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.555 |
| InChI Key: | OJVNODGLJSFQIB-UHFFFAOYSA-N |