N-(4-{2-[2-(4-nitrophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}phenyl)acetamide
Chemical Structure Depiction of
N-(4-{2-[2-(4-nitrophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}phenyl)acetamide
N-(4-{2-[2-(4-nitrophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}phenyl)acetamide
Compound characteristics
| Compound ID: | K505-0100 |
| Compound Name: | N-(4-{2-[2-(4-nitrophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}phenyl)acetamide |
| Molecular Weight: | 426.43 |
| Molecular Formula: | C24 H18 N4 O4 |
| Smiles: | CC(Nc1ccc(cc1)N1C(/C=C/c2ccc(cc2)[N+]([O-])=O)=Nc2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2147 |
| logD: | 3.2144 |
| logSw: | -3.8054 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.238 |
| InChI Key: | HTBMBPWKFNSQQX-UHFFFAOYSA-N |