7-chloro-2-{2-[4-(difluoromethoxy)phenyl]ethenyl}-3-(3-nitrophenyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
7-chloro-2-{2-[4-(difluoromethoxy)phenyl]ethenyl}-3-(3-nitrophenyl)quinazolin-4(3H)-one
7-chloro-2-{2-[4-(difluoromethoxy)phenyl]ethenyl}-3-(3-nitrophenyl)quinazolin-4(3H)-one
Compound characteristics
Compound ID: | K505-0833 |
Compound Name: | 7-chloro-2-{2-[4-(difluoromethoxy)phenyl]ethenyl}-3-(3-nitrophenyl)quinazolin-4(3H)-one |
Molecular Weight: | 469.83 |
Molecular Formula: | C23 H14 Cl F2 N3 O4 |
Smiles: | C(=C/c1ccc(cc1)OC(F)F)\C1=Nc2cc(ccc2C(N1c1cccc(c1)[N+]([O-])=O)=O)[Cl] |
Stereo: | ACHIRAL |
logP: | 4.8577 |
logD: | 4.8576 |
logSw: | -5.1893 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 64.581 |
InChI Key: | PITMYQYPQRSYHC-UHFFFAOYSA-N |