3-(3-fluorophenyl)-7-{3-methoxy-2-[(prop-2-en-1-yl)oxy]phenyl}-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Chemical Structure Depiction of
3-(3-fluorophenyl)-7-{3-methoxy-2-[(prop-2-en-1-yl)oxy]phenyl}-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
3-(3-fluorophenyl)-7-{3-methoxy-2-[(prop-2-en-1-yl)oxy]phenyl}-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Compound characteristics
| Compound ID: | D562-0944 |
| Compound Name: | 3-(3-fluorophenyl)-7-{3-methoxy-2-[(prop-2-en-1-yl)oxy]phenyl}-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid |
| Molecular Weight: | 453.49 |
| Molecular Formula: | C24 H20 F N O5 S |
| Smiles: | COc1cccc(C2CC(Nc3c(c4cccc(c4)F)c(C(O)=O)sc23)=O)c1OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9747 |
| logD: | 2.1747 |
| logSw: | -4.2885 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.912 |
| InChI Key: | YTTKJJZDKFYMRJ-MRXNPFEDSA-N |