3-(3-fluorophenyl)-7-{3-methoxy-4-[(prop-2-yn-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-4-[(prop-2-yn-1-yl)oxy]phenyl}-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
3-(3-fluorophenyl)-7-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Compound characteristics
| Compound ID: | D562-0964 |
| Compound Name: | 3-(3-fluorophenyl)-7-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid |
| Molecular Weight: | 451.47 |
| Molecular Formula: | C24 H18 F N O5 S |
| Smiles: | COc1cc(ccc1OCC#C)C1CC(Nc2c(c3cccc(c3)F)c(C(O)=O)sc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3507 |
| logD: | 1.5507 |
| logSw: | -3.594 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.825 |
| InChI Key: | XPFIRPGBGHHIKR-MRXNPFEDSA-N |