3-(2-chloro-4-fluorophenyl)-2-[2-(3-nitrophenyl)ethenyl]quinazolin-4(3H)-one
Chemical Structure Depiction of
3-(2-chloro-4-fluorophenyl)-2-[2-(3-nitrophenyl)ethenyl]quinazolin-4(3H)-one
3-(2-chloro-4-fluorophenyl)-2-[2-(3-nitrophenyl)ethenyl]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K505-0089 |
| Compound Name: | 3-(2-chloro-4-fluorophenyl)-2-[2-(3-nitrophenyl)ethenyl]quinazolin-4(3H)-one |
| Molecular Weight: | 421.81 |
| Molecular Formula: | C22 H13 Cl F N3 O3 |
| Smiles: | C(=C/c1cccc(c1)[N+]([O-])=O)\C1=Nc2ccccc2C(N1c1ccc(cc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7268 |
| logD: | 4.7266 |
| logSw: | -5.069 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.675 |
| InChI Key: | KZYBIEYZUUXJEJ-UHFFFAOYSA-N |