dimethyl 5-{2-[2-(3,4-difluorophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{2-[2-(3,4-difluorophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzene-1,3-dicarboxylate
dimethyl 5-{2-[2-(3,4-difluorophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | K505-0440 |
| Compound Name: | dimethyl 5-{2-[2-(3,4-difluorophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzene-1,3-dicarboxylate |
| Molecular Weight: | 476.44 |
| Molecular Formula: | C26 H18 F2 N2 O5 |
| Smiles: | COC(c1cc(cc(c1)N1C(/C=C\c2ccc(c(c2)F)F)=Nc2ccccc2C1=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7657 |
| logD: | 4.7656 |
| logSw: | -4.74 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.942 |
| InChI Key: | COAWNDIKPNZELE-UHFFFAOYSA-N |