3-(4-methoxyphenyl)-5-oxo-7-{4-[(prop-2-yn-1-yl)oxy]phenyl}-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Chemical Structure Depiction of
3-(4-methoxyphenyl)-5-oxo-7-{4-[(prop-2-yn-1-yl)oxy]phenyl}-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
3-(4-methoxyphenyl)-5-oxo-7-{4-[(prop-2-yn-1-yl)oxy]phenyl}-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Compound characteristics
| Compound ID: | D562-0488 |
| Compound Name: | 3-(4-methoxyphenyl)-5-oxo-7-{4-[(prop-2-yn-1-yl)oxy]phenyl}-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid |
| Molecular Weight: | 433.48 |
| Molecular Formula: | C24 H19 N O5 S |
| Smiles: | COc1ccc(cc1)c1c2c(C(CC(N2)=O)c2ccc(cc2)OCC#C)sc1C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.609 |
| logD: | 1.8089 |
| logSw: | -3.9756 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.652 |
| InChI Key: | DDLALIQBWNKBJT-GOSISDBHSA-N |