dimethyl 5-{2-[2-(3-bromophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{2-[2-(3-bromophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzene-1,3-dicarboxylate
dimethyl 5-{2-[2-(3-bromophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | K505-0507 |
| Compound Name: | dimethyl 5-{2-[2-(3-bromophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzene-1,3-dicarboxylate |
| Molecular Weight: | 519.35 |
| Molecular Formula: | C26 H19 Br N2 O5 |
| Smiles: | COC(c1cc(cc(c1)N1C(/C=C\c2cccc(c2)[Br])=Nc2ccccc2C1=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1584 |
| logD: | 5.1583 |
| logSw: | -5.1739 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.942 |
| InChI Key: | QZHRPHDJQORIRH-UHFFFAOYSA-N |