3-(4-chlorophenyl)-7-(2,5-dimethoxyphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Chemical Structure Depiction of
3-(4-chlorophenyl)-7-(2,5-dimethoxyphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
3-(4-chlorophenyl)-7-(2,5-dimethoxyphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Compound characteristics
| Compound ID: | D562-0192 |
| Compound Name: | 3-(4-chlorophenyl)-7-(2,5-dimethoxyphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid |
| Molecular Weight: | 443.9 |
| Molecular Formula: | C22 H18 Cl N O5 S |
| Smiles: | COc1ccc(c(c1)C1CC(Nc2c(c3ccc(cc3)[Cl])c(C(O)=O)sc12)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3592 |
| logD: | 2.5591 |
| logSw: | -4.6274 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.865 |
| InChI Key: | MXHCGSJARIEEDM-HNNXBMFYSA-N |