3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide
Chemical Structure Depiction of
3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide
3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide
Compound characteristics
Compound ID: | 8020-8570 |
Compound Name: | 3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide |
Molecular Weight: | 497.5 |
Molecular Formula: | C26 H27 N O9 |
Smiles: | CC1=CC(=C(C(CC(NCCc2ccc(cc2)O)=O)c2cc(c3c(c2OC)OCO3)OC)C(=O)O1)O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.4967 |
logD: | -1.495 |
logSw: | -2.2176 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 111.361 |
InChI Key: | PIAQLMWRGQGQGJ-KRWDZBQOSA-N |