3-(3-chloro-4-fluorophenyl)-2-{2-[4-(methylsulfanyl)phenyl]ethenyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-(3-chloro-4-fluorophenyl)-2-{2-[4-(methylsulfanyl)phenyl]ethenyl}quinazolin-4(3H)-one
3-(3-chloro-4-fluorophenyl)-2-{2-[4-(methylsulfanyl)phenyl]ethenyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K505-0201 |
| Compound Name: | 3-(3-chloro-4-fluorophenyl)-2-{2-[4-(methylsulfanyl)phenyl]ethenyl}quinazolin-4(3H)-one |
| Molecular Weight: | 422.91 |
| Molecular Formula: | C23 H16 Cl F N2 O S |
| Smiles: | CSc1ccc(/C=C/C2=Nc3ccccc3C(N2c2ccc(c(c2)[Cl])F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4019 |
| logD: | 5.4018 |
| logSw: | -5.9151 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 24.5941 |
| InChI Key: | XKBDVNXLBXQSIL-UHFFFAOYSA-N |