2-{2-[2-(acetyloxy)-5-bromo-3-methoxyphenyl]ethenyl}quinolin-8-yl acetate
Chemical Structure Depiction of
2-{2-[2-(acetyloxy)-5-bromo-3-methoxyphenyl]ethenyl}quinolin-8-yl acetate
2-{2-[2-(acetyloxy)-5-bromo-3-methoxyphenyl]ethenyl}quinolin-8-yl acetate
Compound characteristics
| Compound ID: | 4896-2791 |
| Compound Name: | 2-{2-[2-(acetyloxy)-5-bromo-3-methoxyphenyl]ethenyl}quinolin-8-yl acetate |
| Molecular Weight: | 456.29 |
| Molecular Formula: | C22 H18 Br N O5 |
| Smiles: | CC(=O)Oc1cccc2ccc(/C=C/c3cc(cc(c3OC(C)=O)OC)[Br])nc12 |
| Stereo: | ACHIRAL |
| logP: | 4.642 |
| logD: | 4.642 |
| logSw: | -5.1697 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.956 |
| InChI Key: | NKCLGLCADYYGNZ-UHFFFAOYSA-N |