3-(4-fluorophenyl)-7-[4-(methylsulfanyl)phenyl]-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Chemical Structure Depiction of
3-(4-fluorophenyl)-7-[4-(methylsulfanyl)phenyl]-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
3-(4-fluorophenyl)-7-[4-(methylsulfanyl)phenyl]-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Compound characteristics
| Compound ID: | 8019-5412 |
| Compound Name: | 3-(4-fluorophenyl)-7-[4-(methylsulfanyl)phenyl]-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C21 H16 F N O3 S2 |
| Smiles: | CSc1ccc(cc1)C1CC(Nc2c(c3ccc(cc3)F)c(C(O)=O)sc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2956 |
| logD: | 2.4956 |
| logSw: | -4.4094 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.691 |
| InChI Key: | VUBMRLSHVWBVFZ-OAHLLOKOSA-N |