2-(2H-1,3-benzodioxol-5-yl)-N-[(3,4-dichlorophenyl)methyl]quinoline-4-carboxamide
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-N-[(3,4-dichlorophenyl)methyl]quinoline-4-carboxamide
2-(2H-1,3-benzodioxol-5-yl)-N-[(3,4-dichlorophenyl)methyl]quinoline-4-carboxamide
Compound characteristics
Compound ID: | Y509-0477 |
Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-N-[(3,4-dichlorophenyl)methyl]quinoline-4-carboxamide |
Molecular Weight: | 451.31 |
Molecular Formula: | C24 H16 Cl2 N2 O3 |
Smiles: | C(c1ccc(c(c1)[Cl])[Cl])NC(c1cc(c2ccc3c(c2)OCO3)nc2ccccc12)=O |
Stereo: | ACHIRAL |
logP: | 6.677 |
logD: | 6.6761 |
logSw: | -6.4936 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 49.826 |
InChI Key: | FBPYIWDTXICWSX-UHFFFAOYSA-N |