methyl 2-{[2-(2H-1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[2-(2H-1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino}benzoate
methyl 2-{[2-(2H-1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino}benzoate
Compound characteristics
Compound ID: | Y205-0704 |
Compound Name: | methyl 2-{[2-(2H-1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino}benzoate |
Molecular Weight: | 426.43 |
Molecular Formula: | C25 H18 N2 O5 |
Smiles: | COC(c1ccccc1NC(c1cc(c2ccc3c(c2)OCO3)nc2ccccc12)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.2771 |
logD: | 5.2664 |
logSw: | -5.4386 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 68.98 |
InChI Key: | IFIDWAWLXOYDOO-UHFFFAOYSA-N |