2-[2-(6-chloro-4-oxo-4H-1-benzopyran-3-yl)ethenyl]-3-(4-methylphenyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-[2-(6-chloro-4-oxo-4H-1-benzopyran-3-yl)ethenyl]-3-(4-methylphenyl)quinazolin-4(3H)-one
2-[2-(6-chloro-4-oxo-4H-1-benzopyran-3-yl)ethenyl]-3-(4-methylphenyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K505-0189 |
| Compound Name: | 2-[2-(6-chloro-4-oxo-4H-1-benzopyran-3-yl)ethenyl]-3-(4-methylphenyl)quinazolin-4(3H)-one |
| Molecular Weight: | 440.88 |
| Molecular Formula: | C26 H17 Cl N2 O3 |
| Smiles: | Cc1ccc(cc1)N1C(/C=C/C2=COc3ccc(cc3C2=O)[Cl])=Nc2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.6652 |
| logD: | 4.6652 |
| logSw: | -4.7798 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.487 |
| InChI Key: | PWKQULFZCSOTTR-UHFFFAOYSA-N |