ethyl {4-[2-(5-amino-4-cyano-1-phenyl-1H-pyrazol-3-yl)-2-cyanoethenyl]-2-bromo-6-methoxyphenoxy}acetate
Chemical Structure Depiction of
ethyl {4-[2-(5-amino-4-cyano-1-phenyl-1H-pyrazol-3-yl)-2-cyanoethenyl]-2-bromo-6-methoxyphenoxy}acetate
ethyl {4-[2-(5-amino-4-cyano-1-phenyl-1H-pyrazol-3-yl)-2-cyanoethenyl]-2-bromo-6-methoxyphenoxy}acetate
Compound characteristics
| Compound ID: | 2144-0794 |
| Compound Name: | ethyl {4-[2-(5-amino-4-cyano-1-phenyl-1H-pyrazol-3-yl)-2-cyanoethenyl]-2-bromo-6-methoxyphenoxy}acetate |
| Molecular Weight: | 522.36 |
| Molecular Formula: | C24 H20 Br N5 O4 |
| Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2cc(c(c(c2)[Br])OCC(=O)OCC)OC)C#N)nn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5724 |
| logD: | 3.5724 |
| logSw: | -4.0002 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.404 |
| InChI Key: | KLDGNTNUUNRJRT-UHFFFAOYSA-N |