3-(3-fluorophenyl)-5-oxo-7-{4-[(prop-2-en-1-yl)oxy]phenyl}-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Chemical Structure Depiction of
3-(3-fluorophenyl)-5-oxo-7-{4-[(prop-2-en-1-yl)oxy]phenyl}-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
3-(3-fluorophenyl)-5-oxo-7-{4-[(prop-2-en-1-yl)oxy]phenyl}-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Compound characteristics
Compound ID: | D562-0951 |
Compound Name: | 3-(3-fluorophenyl)-5-oxo-7-{4-[(prop-2-en-1-yl)oxy]phenyl}-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid |
Molecular Weight: | 423.46 |
Molecular Formula: | C23 H18 F N O4 S |
Smiles: | C=CCOc1ccc(cc1)C1CC(Nc2c(c3cccc(c3)F)c(C(O)=O)sc12)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.9786 |
logD: | 2.1785 |
logSw: | -4.239 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 59.108 |
InChI Key: | XHCDVLLDDDNQEA-QGZVFWFLSA-N |