3-(4-chlorophenyl)-7-[4-(methoxycarbonyl)phenyl]-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Chemical Structure Depiction of
3-(4-chlorophenyl)-7-[4-(methoxycarbonyl)phenyl]-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
3-(4-chlorophenyl)-7-[4-(methoxycarbonyl)phenyl]-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Compound characteristics
| Compound ID: | D562-0198 |
| Compound Name: | 3-(4-chlorophenyl)-7-[4-(methoxycarbonyl)phenyl]-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid |
| Molecular Weight: | 441.89 |
| Molecular Formula: | C22 H16 Cl N O5 S |
| Smiles: | COC(c1ccc(cc1)C1CC(Nc2c(c3ccc(cc3)[Cl])c(C(O)=O)sc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2327 |
| logD: | 2.4327 |
| logSw: | -4.8753 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.864 |
| InChI Key: | VTDMVKMRBFBDFM-HNNXBMFYSA-N |