7-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1-(3-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
Chemical Structure Depiction of
7-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1-(3-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
7-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1-(3-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
Compound characteristics
Compound ID: | 8020-2973 |
Compound Name: | 7-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1-(3-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid |
Molecular Weight: | 466.45 |
Molecular Formula: | C24 H22 N2 O8 |
Smiles: | COc1cccc(c1)n1cc(C(O)=O)c2c1C(CC(N2)=O)c1cc(c2c(c1OC)OCO2)OC |
Stereo: | RACEMIC MIXTURE |
logP: | 3.0252 |
logD: | -0.762 |
logSw: | -3.3052 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 92.648 |
InChI Key: | LMLISZVAIGQGSP-AWEZNQCLSA-N |