3-(4-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-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: | D562-0565 |
| Compound Name: | 3-(4-methoxyphenyl)-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: | 463.51 |
| Molecular Formula: | C25 H21 N O6 S |
| Smiles: | COc1ccc(cc1)c1c2c(C(CC(N2)=O)c2ccc(c(c2)OCC#C)OC)sc1C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2349 |
| logD: | 1.4349 |
| logSw: | -3.4675 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.369 |
| InChI Key: | CJRXAYJFIJUCLF-QGZVFWFLSA-N |