methyl 4-{7-chloro-4-oxo-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]quinazolin-3(4H)-yl}benzoate
Chemical Structure Depiction of
methyl 4-{7-chloro-4-oxo-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]quinazolin-3(4H)-yl}benzoate
methyl 4-{7-chloro-4-oxo-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]quinazolin-3(4H)-yl}benzoate
Compound characteristics
| Compound ID: | K505-0812 |
| Compound Name: | methyl 4-{7-chloro-4-oxo-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]quinazolin-3(4H)-yl}benzoate |
| Molecular Weight: | 506.94 |
| Molecular Formula: | C27 H23 Cl N2 O6 |
| Smiles: | COC(c1ccc(cc1)N1C(/C=C/c2cc(c(c(c2)OC)OC)OC)=Nc2cc(ccc2C1=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5321 |
| logD: | 4.532 |
| logSw: | -4.688 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.746 |
| InChI Key: | GFFOACFQIDPAHQ-UHFFFAOYSA-N |