3-[7-chloro-2-{2-[4-(difluoromethoxy)phenyl]ethenyl}-4-oxoquinazolin-3(4H)-yl]benzoic acid
Chemical Structure Depiction of
3-[7-chloro-2-{2-[4-(difluoromethoxy)phenyl]ethenyl}-4-oxoquinazolin-3(4H)-yl]benzoic acid
3-[7-chloro-2-{2-[4-(difluoromethoxy)phenyl]ethenyl}-4-oxoquinazolin-3(4H)-yl]benzoic acid
Compound characteristics
| Compound ID: | K505-0834 |
| Compound Name: | 3-[7-chloro-2-{2-[4-(difluoromethoxy)phenyl]ethenyl}-4-oxoquinazolin-3(4H)-yl]benzoic acid |
| Molecular Weight: | 468.84 |
| Molecular Formula: | C24 H15 Cl F2 N2 O4 |
| Smiles: | C(=C/c1ccc(cc1)OC(F)F)\C1=Nc2cc(ccc2C(N1c1cccc(c1)C(O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.9197 |
| logD: | 2.2301 |
| logSw: | -4.8381 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.607 |
| InChI Key: | BWPUAZZASFGPLM-UHFFFAOYSA-N |