7-{3-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3-(4-methylphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Chemical Structure Depiction of
7-{3-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3-(4-methylphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
7-{3-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3-(4-methylphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Compound characteristics
| Compound ID: | D562-0273 |
| Compound Name: | 7-{3-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3-(4-methylphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid |
| Molecular Weight: | 461.54 |
| Molecular Formula: | C26 H23 N O5 S |
| Smiles: | CCOc1cc(ccc1OCC#C)C1CC(Nc2c(c3ccc(C)cc3)c(C(O)=O)sc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0215 |
| logD: | 2.2215 |
| logSw: | -4.2044 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.405 |
| InChI Key: | XEISNXUPTMZRDF-GOSISDBHSA-N |