3-(4-fluorophenyl)-7-{4-methoxy-3-[(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-(4-fluorophenyl)-7-{4-methoxy-3-[(prop-2-yn-1-yl)oxy]phenyl}-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
3-(4-fluorophenyl)-7-{4-methoxy-3-[(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: | 8019-5221 |
| Compound Name: | 3-(4-fluorophenyl)-7-{4-methoxy-3-[(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: | COc1ccc(cc1OCC#C)C1CC(Nc2c(c3ccc(cc3)F)c(C(O)=O)sc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2816 |
| logD: | 1.4816 |
| logSw: | -3.4577 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.825 |
| InChI Key: | IDXNOEWSNHNYQS-MRXNPFEDSA-N |