3-(4-chlorophenyl)-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-(4-chlorophenyl)-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-(4-chlorophenyl)-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: | D562-0152 |
| Compound Name: | 3-(4-chlorophenyl)-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: | 467.93 |
| Molecular Formula: | C24 H18 Cl N O5 S |
| Smiles: | COc1cc(ccc1OCC#C)C1CC(Nc2c(c3ccc(cc3)[Cl])c(C(O)=O)sc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0472 |
| logD: | 2.2472 |
| logSw: | -4.7262 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.825 |
| InChI Key: | TXKLEUCNDSQNOQ-INIZCTEOSA-N |