3-(3-chloro-4-fluorophenyl)-2-[2-(3,4-difluorophenyl)ethenyl]quinazolin-4(3H)-one
Chemical Structure Depiction of
3-(3-chloro-4-fluorophenyl)-2-[2-(3,4-difluorophenyl)ethenyl]quinazolin-4(3H)-one
3-(3-chloro-4-fluorophenyl)-2-[2-(3,4-difluorophenyl)ethenyl]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K505-0281 |
| Compound Name: | 3-(3-chloro-4-fluorophenyl)-2-[2-(3,4-difluorophenyl)ethenyl]quinazolin-4(3H)-one |
| Molecular Weight: | 412.8 |
| Molecular Formula: | C22 H12 Cl F3 N2 O |
| Smiles: | C(=C/c1ccc(c(c1)F)F)\C1=Nc2ccccc2C(N1c1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1795 |
| logD: | 5.1794 |
| logSw: | -5.6228 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.5941 |
| InChI Key: | AKECIHAVBCIHQR-UHFFFAOYSA-N |