2-[2-(4-nitrophenyl)ethenyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4(3H)-one
Chemical Structure Depiction of
2-[2-(4-nitrophenyl)ethenyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4(3H)-one
2-[2-(4-nitrophenyl)ethenyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K505-0097 |
| Compound Name: | 2-[2-(4-nitrophenyl)ethenyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4(3H)-one |
| Molecular Weight: | 437.38 |
| Molecular Formula: | C23 H14 F3 N3 O3 |
| Smiles: | C(=C/c1ccc(cc1)[N+]([O-])=O)\C1=Nc2ccccc2C(N1c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8701 |
| logD: | 4.8686 |
| logSw: | -4.9592 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.976 |
| InChI Key: | CQJGDMLZKJAXIF-UHFFFAOYSA-N |