3-(3-fluorophenyl)-7-[4-(methoxycarbonyl)phenyl]-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Chemical Structure Depiction of
3-(3-fluorophenyl)-7-[4-(methoxycarbonyl)phenyl]-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
3-(3-fluorophenyl)-7-[4-(methoxycarbonyl)phenyl]-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Compound characteristics
| Compound ID: | D562-1010 |
| Compound Name: | 3-(3-fluorophenyl)-7-[4-(methoxycarbonyl)phenyl]-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid |
| Molecular Weight: | 425.43 |
| Molecular Formula: | C22 H16 F N O5 S |
| Smiles: | COC(c1ccc(cc1)C1CC(Nc2c(c3cccc(c3)F)c(C(O)=O)sc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5362 |
| logD: | 1.7361 |
| logSw: | -3.9343 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.864 |
| InChI Key: | RSYASALLGGUJLN-OAHLLOKOSA-N |