7-(2H-1,3-benzodioxol-5-yl)-5-oxo-3-phenyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Chemical Structure Depiction of
7-(2H-1,3-benzodioxol-5-yl)-5-oxo-3-phenyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
7-(2H-1,3-benzodioxol-5-yl)-5-oxo-3-phenyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Compound characteristics
| Compound ID: | 8019-5133 |
| Compound Name: | 7-(2H-1,3-benzodioxol-5-yl)-5-oxo-3-phenyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid |
| Molecular Weight: | 393.42 |
| Molecular Formula: | C21 H15 N O5 S |
| Smiles: | C1C(c2ccc3c(c2)OCO3)c2c(c(c3ccccc3)c(C(O)=O)s2)NC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4397 |
| logD: | 1.6397 |
| logSw: | -3.8534 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.806 |
| InChI Key: | YJZUJSRKAXGJEV-CYBMUJFWSA-N |