2-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-3-(3,4-dimethylphenyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-3-(3,4-dimethylphenyl)quinazolin-4(3H)-one
2-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-3-(3,4-dimethylphenyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K505-0314 |
| Compound Name: | 2-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-3-(3,4-dimethylphenyl)quinazolin-4(3H)-one |
| Molecular Weight: | 396.44 |
| Molecular Formula: | C25 H20 N2 O3 |
| Smiles: | Cc1ccc(cc1C)N1C(/C=C/c2ccc3c(c2)OCO3)=Nc2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 5.2245 |
| logD: | 5.223 |
| logSw: | -5.1236 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.71 |
| InChI Key: | RIPZXCGKGIFXKW-UHFFFAOYSA-N |