dimethyl 5-[2-(2-{4-[(3,4-dichlorophenyl)methoxy]phenyl}ethenyl)-4-oxoquinazolin-3(4H)-yl]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[2-(2-{4-[(3,4-dichlorophenyl)methoxy]phenyl}ethenyl)-4-oxoquinazolin-3(4H)-yl]benzene-1,3-dicarboxylate
dimethyl 5-[2-(2-{4-[(3,4-dichlorophenyl)methoxy]phenyl}ethenyl)-4-oxoquinazolin-3(4H)-yl]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | K505-0892 |
| Compound Name: | dimethyl 5-[2-(2-{4-[(3,4-dichlorophenyl)methoxy]phenyl}ethenyl)-4-oxoquinazolin-3(4H)-yl]benzene-1,3-dicarboxylate |
| Molecular Weight: | 615.47 |
| Molecular Formula: | C33 H24 Cl2 N2 O6 |
| Smiles: | COC(c1cc(cc(c1)N1C(/C=C/c2ccc(cc2)OCc2ccc(c(c2)[Cl])[Cl])=Nc2ccccc2C1=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0501 |
| logD: | 7.05 |
| logSw: | -6.3682 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.169 |
| InChI Key: | PTLAYMYGQJEEQU-UHFFFAOYSA-N |