N-[(4-methylphenyl)methyl]-4-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}butanamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-4-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}butanamide
N-[(4-methylphenyl)methyl]-4-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}butanamide
Compound characteristics
| Compound ID: | C260-2689 |
| Compound Name: | N-[(4-methylphenyl)methyl]-4-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}butanamide |
| Molecular Weight: | 486.53 |
| Molecular Formula: | C27 H26 N4 O5 |
| Smiles: | Cc1ccc(CNC(CCCN2C(c3ccccc3N(Cc3cccc(c3)[N+]([O-])=O)C2=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5441 |
| logD: | 3.5441 |
| logSw: | -3.8605 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.098 |
| InChI Key: | QOXKYLYNOUYEIA-UHFFFAOYSA-N |