2-[2-(6-bromo-2H-1,3-benzodioxol-5-yl)ethenyl]-3-(4-methylphenyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-[2-(6-bromo-2H-1,3-benzodioxol-5-yl)ethenyl]-3-(4-methylphenyl)quinazolin-4(3H)-one
2-[2-(6-bromo-2H-1,3-benzodioxol-5-yl)ethenyl]-3-(4-methylphenyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K505-0166 |
| Compound Name: | 2-[2-(6-bromo-2H-1,3-benzodioxol-5-yl)ethenyl]-3-(4-methylphenyl)quinazolin-4(3H)-one |
| Molecular Weight: | 461.31 |
| Molecular Formula: | C24 H17 Br N2 O3 |
| Smiles: | Cc1ccc(cc1)N1C(/C=C/c2cc3c(cc2[Br])OCO3)=Nc2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.7977 |
| logD: | 4.7976 |
| logSw: | -4.6317 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.71 |
| InChI Key: | ACKGWEXYLVQCOR-UHFFFAOYSA-N |