5-oxo-3-phenyl-7-{4-[(prop-2-yn-1-yl)oxy]phenyl}-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Chemical Structure Depiction of
5-oxo-3-phenyl-7-{4-[(prop-2-yn-1-yl)oxy]phenyl}-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
5-oxo-3-phenyl-7-{4-[(prop-2-yn-1-yl)oxy]phenyl}-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Compound characteristics
| Compound ID: | 8019-8048 |
| Compound Name: | 5-oxo-3-phenyl-7-{4-[(prop-2-yn-1-yl)oxy]phenyl}-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid |
| Molecular Weight: | 403.46 |
| Molecular Formula: | C23 H17 N O4 S |
| Smiles: | C#CCOc1ccc(cc1)C1CC(Nc2c(c3ccccc3)c(C(O)=O)sc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5215 |
| logD: | 1.7215 |
| logSw: | -3.7963 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.108 |
| InChI Key: | VPZMVNFYURDINB-QGZVFWFLSA-N |