7-(4-cyanophenyl)-3-(3-fluorophenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Chemical Structure Depiction of
7-(4-cyanophenyl)-3-(3-fluorophenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
7-(4-cyanophenyl)-3-(3-fluorophenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Compound characteristics
| Compound ID: | D562-1038 |
| Compound Name: | 7-(4-cyanophenyl)-3-(3-fluorophenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid |
| Molecular Weight: | 392.41 |
| Molecular Formula: | C21 H13 F N2 O3 S |
| Smiles: | C1C(c2ccc(C#N)cc2)c2c(c(c3cccc(c3)F)c(C(O)=O)s2)NC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0999 |
| logD: | 1.2998 |
| logSw: | -3.3156 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.747 |
| InChI Key: | QKELXDFIPODNSW-OAHLLOKOSA-N |