N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(4-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-[(4-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}butanamide
Compound characteristics
| Compound ID: | C260-1099 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(4-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(Cc2ccc(cc2)[N+]([O-])=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0973 |
| logD: | 3.0973 |
| logSw: | -3.6943 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.214 |
| InChI Key: | FXTFBCWSHJMKDT-UHFFFAOYSA-N |