3-(4-methylphenyl)-5-oxo-7-{2-[(prop-2-en-1-yl)oxy]phenyl}-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Chemical Structure Depiction of
3-(4-methylphenyl)-5-oxo-7-{2-[(prop-2-en-1-yl)oxy]phenyl}-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
3-(4-methylphenyl)-5-oxo-7-{2-[(prop-2-en-1-yl)oxy]phenyl}-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Compound characteristics
| Compound ID: | D562-0243 |
| Compound Name: | 3-(4-methylphenyl)-5-oxo-7-{2-[(prop-2-en-1-yl)oxy]phenyl}-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C24 H21 N O4 S |
| Smiles: | Cc1ccc(cc1)c1c2c(C(CC(N2)=O)c2ccccc2OCC=C)sc1C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9882 |
| logD: | 3.1881 |
| logSw: | -4.5834 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.195 |
| InChI Key: | SOWQCEZRVHWZLL-QGZVFWFLSA-N |