4-[2-(5-amino-4-cyano-1-phenyl-1H-pyrazol-3-yl)-2-cyanoethenyl]-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-[2-(5-amino-4-cyano-1-phenyl-1H-pyrazol-3-yl)-2-cyanoethenyl]-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
4-[2-(5-amino-4-cyano-1-phenyl-1H-pyrazol-3-yl)-2-cyanoethenyl]-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | 2144-0952 |
| Compound Name: | 4-[2-(5-amino-4-cyano-1-phenyl-1H-pyrazol-3-yl)-2-cyanoethenyl]-2-methoxyphenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 515.52 |
| Molecular Formula: | C26 H18 F N5 O4 S |
| Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2ccc(c(c2)OC)OS(c2ccc(cc2)F)(=O)=O)C#N)nn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8403 |
| logD: | 3.8403 |
| logSw: | -4.4196 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.421 |
| InChI Key: | HZPMRYMSNGUXBF-UHFFFAOYSA-N |