4-{7-chloro-4-oxo-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]quinazolin-3(4H)-yl}benzoic acid
Chemical Structure Depiction of
4-{7-chloro-4-oxo-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]quinazolin-3(4H)-yl}benzoic acid
4-{7-chloro-4-oxo-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]quinazolin-3(4H)-yl}benzoic acid
Compound characteristics
| Compound ID: | K505-0815 |
| Compound Name: | 4-{7-chloro-4-oxo-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]quinazolin-3(4H)-yl}benzoic acid |
| Molecular Weight: | 492.92 |
| Molecular Formula: | C26 H21 Cl N2 O6 |
| Smiles: | COc1cc(/C=C/C2=Nc3cc(ccc3C(N2c2ccc(cc2)C(O)=O)=O)[Cl])cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.2895 |
| logD: | 1.8943 |
| logSw: | -4.5026 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.98 |
| InChI Key: | GQCBLGHYXKXIQL-UHFFFAOYSA-N |