7-(3,4-dimethylphenyl)-5-oxo-3-phenyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Chemical Structure Depiction of
7-(3,4-dimethylphenyl)-5-oxo-3-phenyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
7-(3,4-dimethylphenyl)-5-oxo-3-phenyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Compound characteristics
| Compound ID: | D562-0005 |
| Compound Name: | 7-(3,4-dimethylphenyl)-5-oxo-3-phenyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid |
| Molecular Weight: | 377.46 |
| Molecular Formula: | C22 H19 N O3 S |
| Smiles: | Cc1ccc(cc1C)C1CC(Nc2c(c3ccccc3)c(C(O)=O)sc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5454 |
| logD: | 2.7454 |
| logSw: | -4.3442 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.691 |
| InChI Key: | RMRLEKREAFHMHT-MRXNPFEDSA-N |