N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}butanamide
Compound characteristics
Compound ID: | C260-1083 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}butanamide |
Molecular Weight: | 516.51 |
Molecular Formula: | C27 H24 N4 O7 |
Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)CN1C(c2ccccc2N(Cc2cccc(c2)[N+]([O-])=O)C1=O)=O |
Stereo: | ACHIRAL |
logP: | 3.0338 |
logD: | 3.0338 |
logSw: | -3.6645 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 106.214 |
InChI Key: | KVQNZFODXZCEFH-UHFFFAOYSA-N |