7-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Chemical Structure Depiction of
7-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
7-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Compound characteristics
| Compound ID: | D562-0542 |
| Compound Name: | 7-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid |
| Molecular Weight: | 423.44 |
| Molecular Formula: | C22 H17 N O6 S |
| Smiles: | COc1ccc(cc1)c1c2c(C(CC(N2)=O)c2ccc3c(c2)OCO3)sc1C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5271 |
| logD: | 1.7271 |
| logSw: | -3.9712 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.35 |
| InChI Key: | VHFKJOFWLQRUPC-CQSZACIVSA-N |