ethyl (4-{2-[5-amino-4-cyano-1-(2-hydroxyethyl)-1H-pyrazol-3-yl]-2-cyanoethenyl}-2-methoxyphenoxy)acetate
Chemical Structure Depiction of
ethyl (4-{2-[5-amino-4-cyano-1-(2-hydroxyethyl)-1H-pyrazol-3-yl]-2-cyanoethenyl}-2-methoxyphenoxy)acetate
ethyl (4-{2-[5-amino-4-cyano-1-(2-hydroxyethyl)-1H-pyrazol-3-yl]-2-cyanoethenyl}-2-methoxyphenoxy)acetate
Compound characteristics
| Compound ID: | 8007-2090 |
| Compound Name: | ethyl (4-{2-[5-amino-4-cyano-1-(2-hydroxyethyl)-1H-pyrazol-3-yl]-2-cyanoethenyl}-2-methoxyphenoxy)acetate |
| Molecular Weight: | 411.42 |
| Molecular Formula: | C20 H21 N5 O5 |
| Smiles: | CCOC(COc1ccc(/C=C(C#N)/c2c(C#N)c(N)n(CCO)n2)cc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4345 |
| logD: | 0.4345 |
| logSw: | -1.7456 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 120.086 |
| InChI Key: | CQWPXCYYORCPES-UHFFFAOYSA-N |