dimethyl 5-[4-oxo-2-{2-[3-(trifluoromethyl)phenyl]ethenyl}quinazolin-3(4H)-yl]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[4-oxo-2-{2-[3-(trifluoromethyl)phenyl]ethenyl}quinazolin-3(4H)-yl]benzene-1,3-dicarboxylate
dimethyl 5-[4-oxo-2-{2-[3-(trifluoromethyl)phenyl]ethenyl}quinazolin-3(4H)-yl]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | K505-0401 |
| Compound Name: | dimethyl 5-[4-oxo-2-{2-[3-(trifluoromethyl)phenyl]ethenyl}quinazolin-3(4H)-yl]benzene-1,3-dicarboxylate |
| Molecular Weight: | 508.45 |
| Molecular Formula: | C27 H19 F3 N2 O5 |
| Smiles: | COC(c1cc(cc(c1)N1C(/C=C\c2cccc(c2)C(F)(F)F)=Nc2ccccc2C1=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2124 |
| logD: | 5.2124 |
| logSw: | -5.3201 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.942 |
| InChI Key: | BQVBXAZYAIUXOY-UHFFFAOYSA-N |