ethyl 2-{2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-4,5-dimethylthiophene-3-carboxylate
ethyl 2-{2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | D308-0109 |
| Compound Name: | ethyl 2-{2-[(5,9-dimethyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamido}-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 468.6 |
| Molecular Formula: | C23 H24 N4 O3 S2 |
| Smiles: | CCOC(c1c(C)c(C)sc1NC(CSc1nnc2cc(C)c3cccc(C)c3n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0626 |
| logD: | 2.997 |
| logSw: | -4.9726 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.555 |
| InChI Key: | XCRRYVWSSBYVJQ-UHFFFAOYSA-N |