dimethyl 5-{2-[2-(3-nitrophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{2-[2-(3-nitrophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzene-1,3-dicarboxylate
dimethyl 5-{2-[2-(3-nitrophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | K505-0083 |
| Compound Name: | dimethyl 5-{2-[2-(3-nitrophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzene-1,3-dicarboxylate |
| Molecular Weight: | 485.45 |
| Molecular Formula: | C26 H19 N3 O7 |
| Smiles: | COC(c1cc(cc(c1)N1C(/C=C/c2cccc(c2)[N+]([O-])=O)=Nc2ccccc2C1=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1845 |
| logD: | 4.1844 |
| logSw: | -4.5924 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 100.323 |
| InChI Key: | NXIHOIZAXQRKPT-UHFFFAOYSA-N |