N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}methyl)benzamide
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}methyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}methyl)benzamide
Compound characteristics
| Compound ID: | C260-1146 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}methyl)benzamide |
| Molecular Weight: | 564.55 |
| Molecular Formula: | C31 H24 N4 O7 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc(CN2C(c3ccccc3N(Cc3cccc(c3)[N+]([O-])=O)C2=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5863 |
| logD: | 4.5863 |
| logSw: | -4.5557 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.177 |
| InChI Key: | JKXLOLYZLJCNBH-UHFFFAOYSA-N |