ethyl [3-(4-methoxyphenyl)-4-{2-[2-oxo-6-(trifluoromethyl)-2,3-dihydropyrimidin-4-yl]ethenyl}-1H-pyrazol-1-yl]acetate
Chemical Structure Depiction of
ethyl [3-(4-methoxyphenyl)-4-{2-[2-oxo-6-(trifluoromethyl)-2,3-dihydropyrimidin-4-yl]ethenyl}-1H-pyrazol-1-yl]acetate
ethyl [3-(4-methoxyphenyl)-4-{2-[2-oxo-6-(trifluoromethyl)-2,3-dihydropyrimidin-4-yl]ethenyl}-1H-pyrazol-1-yl]acetate
Compound characteristics
| Compound ID: | 8016-3374 |
| Compound Name: | ethyl [3-(4-methoxyphenyl)-4-{2-[2-oxo-6-(trifluoromethyl)-2,3-dihydropyrimidin-4-yl]ethenyl}-1H-pyrazol-1-yl]acetate |
| Molecular Weight: | 448.4 |
| Molecular Formula: | C21 H19 F3 N4 O4 |
| Smiles: | CCOC(Cn1cc(/C=C/C2=CC(C(F)(F)F)=NC(N2)=O)c(c2ccc(cc2)OC)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0622 |
| logD: | 2.6666 |
| logSw: | -3.2197 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.022 |
| InChI Key: | AUXXHBLTWXARDH-UHFFFAOYSA-N |