methyl 4-{2-[2-(3,4-difluorophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzoate
Chemical Structure Depiction of
methyl 4-{2-[2-(3,4-difluorophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzoate
methyl 4-{2-[2-(3,4-difluorophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzoate
Compound characteristics
| Compound ID: | K505-0411 |
| Compound Name: | methyl 4-{2-[2-(3,4-difluorophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzoate |
| Molecular Weight: | 418.4 |
| Molecular Formula: | C24 H16 F2 N2 O3 |
| Smiles: | COC(c1ccc(cc1)N1C(/C=C\c2ccc(c(c2)F)F)=Nc2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6755 |
| logD: | 4.6752 |
| logSw: | -4.6144 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.768 |
| InChI Key: | IUIMIQPCCXZIMS-UHFFFAOYSA-N |