3-(3,5-dimethylphenyl)-2-{2-[4-(methylsulfanyl)phenyl]ethenyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-(3,5-dimethylphenyl)-2-{2-[4-(methylsulfanyl)phenyl]ethenyl}quinazolin-4(3H)-one
3-(3,5-dimethylphenyl)-2-{2-[4-(methylsulfanyl)phenyl]ethenyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K505-0206 |
| Compound Name: | 3-(3,5-dimethylphenyl)-2-{2-[4-(methylsulfanyl)phenyl]ethenyl}quinazolin-4(3H)-one |
| Molecular Weight: | 398.53 |
| Molecular Formula: | C25 H22 N2 O S |
| Smiles: | Cc1cc(C)cc(c1)N1C(/C=C/c2ccc(cc2)SC)=Nc2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 5.8424 |
| logD: | 5.8357 |
| logSw: | -5.6241 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 24.5941 |
| InChI Key: | YTGXZJRWOAXGGS-UHFFFAOYSA-N |