7-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Chemical Structure Depiction of
7-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
7-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Compound characteristics
| Compound ID: | D562-0260 |
| Compound Name: | 7-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid |
| Molecular Weight: | 409.46 |
| Molecular Formula: | C22 H19 N O5 S |
| Smiles: | Cc1ccc(cc1)c1c2c(C(CC(N2)=O)c2ccc(c(c2)OC)O)sc1C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2531 |
| logD: | 1.4531 |
| logSw: | -3.1841 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.869 |
| InChI Key: | AKIPRQXKKHDAOJ-CQSZACIVSA-N |