7-(3,4-dimethoxyphenyl)-3-(3-fluorophenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Chemical Structure Depiction of
7-(3,4-dimethoxyphenyl)-3-(3-fluorophenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
7-(3,4-dimethoxyphenyl)-3-(3-fluorophenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Compound characteristics
| Compound ID: | D562-0953 |
| Compound Name: | 7-(3,4-dimethoxyphenyl)-3-(3-fluorophenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid |
| Molecular Weight: | 427.45 |
| Molecular Formula: | C22 H18 F N O5 S |
| Smiles: | COc1ccc(cc1OC)C1CC(Nc2c(c3cccc(c3)F)c(C(O)=O)sc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1447 |
| logD: | 1.3447 |
| logSw: | -3.3185 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.951 |
| InChI Key: | PGMMEKHVSSUTQM-CQSZACIVSA-N |