3-(3-fluorophenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Chemical Structure Depiction of
3-(3-fluorophenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
3-(3-fluorophenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Compound characteristics
| Compound ID: | D562-0970 |
| Compound Name: | 3-(3-fluorophenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid |
| Molecular Weight: | 443.45 |
| Molecular Formula: | C22 H18 F N O6 S |
| Smiles: | COc1cc(cc(c1O)OC)C1CC(Nc2c(c3cccc(c3)F)c(C(O)=O)sc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5155 |
| logD: | 0.7155 |
| logSw: | -2.8629 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.431 |
| InChI Key: | IQHDQKILZFXXLO-CYBMUJFWSA-N |