3-(2H-1,3-benzodioxol-5-yl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
3-(2H-1,3-benzodioxol-5-yl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Compound characteristics
Compound ID: | Y043-7043 |
Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid |
Molecular Weight: | 325.32 |
Molecular Formula: | C18 H15 N O5 |
Smiles: | CN1C(C(C(O)=O)c2ccccc2C1=O)c1ccc2c(c1)OCO2 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 1.7366 |
logD: | -0.9851 |
logSw: | -2.4999 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.212 |
InChI Key: | WTYHJVRWDIGCCZ-UHFFFAOYSA-N |