3-(4-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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: | D562-0140 |
| Compound Name: | 3-(4-chlorophenyl)-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: | 437.9 |
| Molecular Formula: | C23 H16 Cl N O4 S |
| Smiles: | C#CCOc1ccc(cc1)C1CC(Nc2c(c3ccc(cc3)[Cl])c(C(O)=O)sc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2213 |
| logD: | 2.4213 |
| logSw: | -4.9682 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.108 |
| InChI Key: | KJVZSUHPCRHFSR-KRWDZBQOSA-N |