3-(3-nitrophenyl)-2-{2-[3-(trifluoromethyl)phenyl]ethenyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-(3-nitrophenyl)-2-{2-[3-(trifluoromethyl)phenyl]ethenyl}quinazolin-4(3H)-one
3-(3-nitrophenyl)-2-{2-[3-(trifluoromethyl)phenyl]ethenyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K505-0379 |
| Compound Name: | 3-(3-nitrophenyl)-2-{2-[3-(trifluoromethyl)phenyl]ethenyl}quinazolin-4(3H)-one |
| Molecular Weight: | 437.38 |
| Molecular Formula: | C23 H14 F3 N3 O3 |
| Smiles: | C(=C\c1cccc(c1)C(F)(F)F)\C1=Nc2ccccc2C(N1c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9067 |
| logD: | 4.9065 |
| logSw: | -4.9585 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.976 |
| InChI Key: | YNSCOINFBQUWRR-UHFFFAOYSA-N |