ethyl 4-{5-[2-(5-amino-4-cyano-1H-pyrazol-3-yl)-2-cyanoethenyl]furan-2-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{5-[2-(5-amino-4-cyano-1H-pyrazol-3-yl)-2-cyanoethenyl]furan-2-yl}benzoate
ethyl 4-{5-[2-(5-amino-4-cyano-1H-pyrazol-3-yl)-2-cyanoethenyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 2237-1762 |
| Compound Name: | ethyl 4-{5-[2-(5-amino-4-cyano-1H-pyrazol-3-yl)-2-cyanoethenyl]furan-2-yl}benzoate |
| Molecular Weight: | 373.37 |
| Molecular Formula: | C20 H15 N5 O3 |
| Smiles: | CCOC(c1ccc(cc1)c1ccc(/C=C(C#N)/c2c(C#N)c(N)[nH]n2)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5373 |
| logD: | 3.5328 |
| logSw: | -3.8249 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.631 |
| InChI Key: | JNJVXSICXGVNLM-UHFFFAOYSA-N |