N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}pentanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}pentanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}pentanamide
Compound characteristics
| Compound ID: | C260-1785 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}pentanamide |
| Molecular Weight: | 530.54 |
| Molecular Formula: | C28 H26 N4 O7 |
| Smiles: | C(CCN1C(c2ccccc2N(Cc2cccc(c2)[N+]([O-])=O)C1=O)=O)CC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.548 |
| logD: | 3.548 |
| logSw: | -3.8841 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.214 |
| InChI Key: | MFKKLIJOEXWJAU-UHFFFAOYSA-N |