3-(4-chloro-2-nitrophenyl)-2-[2-(3,4-difluorophenyl)ethenyl]quinazolin-4(3H)-one
Chemical Structure Depiction of
3-(4-chloro-2-nitrophenyl)-2-[2-(3,4-difluorophenyl)ethenyl]quinazolin-4(3H)-one
3-(4-chloro-2-nitrophenyl)-2-[2-(3,4-difluorophenyl)ethenyl]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K505-0431 |
| Compound Name: | 3-(4-chloro-2-nitrophenyl)-2-[2-(3,4-difluorophenyl)ethenyl]quinazolin-4(3H)-one |
| Molecular Weight: | 439.8 |
| Molecular Formula: | C22 H12 Cl F2 N3 O3 |
| Smiles: | C(=C\c1ccc(c(c1)F)F)\C1=Nc2ccccc2C(N1c1ccc(cc1[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0063 |
| logD: | 5.0063 |
| logSw: | -5.2966 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.374 |
| InChI Key: | UXSXNCRJJSGUEP-UHFFFAOYSA-N |