3-(4-bromophenyl)-2-{2-[4-(methylsulfanyl)phenyl]ethenyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-(4-bromophenyl)-2-{2-[4-(methylsulfanyl)phenyl]ethenyl}quinazolin-4(3H)-one
3-(4-bromophenyl)-2-{2-[4-(methylsulfanyl)phenyl]ethenyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K505-0191 |
| Compound Name: | 3-(4-bromophenyl)-2-{2-[4-(methylsulfanyl)phenyl]ethenyl}quinazolin-4(3H)-one |
| Molecular Weight: | 449.37 |
| Molecular Formula: | C23 H17 Br N2 O S |
| Smiles: | CSc1ccc(/C=C/C2=Nc3ccccc3C(N2c2ccc(cc2)[Br])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.641 |
| logD: | 5.6407 |
| logSw: | -5.6002 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 24.5941 |
| InChI Key: | MOVWOQIANSQDJC-UHFFFAOYSA-N |