7-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3-(4-methylphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Chemical Structure Depiction of
7-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3-(4-methylphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
7-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3-(4-methylphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Compound characteristics
| Compound ID: | D562-0268 |
| Compound Name: | 7-{3-methoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-3-(4-methylphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C25 H21 N O5 S |
| Smiles: | Cc1ccc(cc1)c1c2c(C(CC(N2)=O)c2ccc(c(c2)OC)OCC#C)sc1C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8759 |
| logD: | 2.0759 |
| logSw: | -4.2467 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.825 |
| InChI Key: | SXTMFJAJAKHBMS-QGZVFWFLSA-N |