3-(4-chlorophenyl)-7-(4-cyanophenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Chemical Structure Depiction of
3-(4-chlorophenyl)-7-(4-cyanophenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
3-(4-chlorophenyl)-7-(4-cyanophenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Compound characteristics
| Compound ID: | D562-0226 |
| Compound Name: | 3-(4-chlorophenyl)-7-(4-cyanophenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid |
| Molecular Weight: | 408.86 |
| Molecular Formula: | C21 H13 Cl N2 O3 S |
| Smiles: | C1C(c2ccc(C#N)cc2)c2c(c(c3ccc(cc3)[Cl])c(C(O)=O)s2)NC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7964 |
| logD: | 1.9964 |
| logSw: | -4.9893 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.747 |
| InChI Key: | VFPJRDPIYJEDJL-HNNXBMFYSA-N |