4-{2-[5-amino-4-cyano-1-(2-hydroxyethyl)-1H-pyrazol-3-yl]-2-cyanoethenyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-{2-[5-amino-4-cyano-1-(2-hydroxyethyl)-1H-pyrazol-3-yl]-2-cyanoethenyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
4-{2-[5-amino-4-cyano-1-(2-hydroxyethyl)-1H-pyrazol-3-yl]-2-cyanoethenyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | 2144-0938 |
| Compound Name: | 4-{2-[5-amino-4-cyano-1-(2-hydroxyethyl)-1H-pyrazol-3-yl]-2-cyanoethenyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 483.48 |
| Molecular Formula: | C22 H18 F N5 O5 S |
| Smiles: | [H]N([H])c1c(C#N)c(/C(=C/c2ccc(c(c2)OC)OS(c2ccc(cc2)F)(=O)=O)C#N)nn1CCO[H] |
| Stereo: | ACHIRAL |
| logP: | 1.6578 |
| logD: | 1.6578 |
| logSw: | -2.4783 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 128.19 |
| InChI Key: | QMGOPEMOOBZCSV-UHFFFAOYSA-N |