2-[2-(4-butoxyphenyl)ethenyl]-3-(3-chloro-4-fluorophenyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-[2-(4-butoxyphenyl)ethenyl]-3-(3-chloro-4-fluorophenyl)quinazolin-4(3H)-one
2-[2-(4-butoxyphenyl)ethenyl]-3-(3-chloro-4-fluorophenyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K505-0282 |
| Compound Name: | 2-[2-(4-butoxyphenyl)ethenyl]-3-(3-chloro-4-fluorophenyl)quinazolin-4(3H)-one |
| Molecular Weight: | 448.92 |
| Molecular Formula: | C26 H22 Cl F N2 O2 |
| Smiles: | CCCCOc1ccc(/C=C/C2=Nc3ccccc3C(N2c2ccc(c(c2)[Cl])F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.1149 |
| logD: | 6.1147 |
| logSw: | -6.0531 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.012 |
| InChI Key: | PEODAGVTVABWKU-UHFFFAOYSA-N |