ethyl 4-(5-{2-[5-amino-4-cyano-1-(2-hydroxyethyl)-1H-pyrazol-3-yl]-2-cyanoethenyl}furan-2-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(5-{2-[5-amino-4-cyano-1-(2-hydroxyethyl)-1H-pyrazol-3-yl]-2-cyanoethenyl}furan-2-yl)benzoate
ethyl 4-(5-{2-[5-amino-4-cyano-1-(2-hydroxyethyl)-1H-pyrazol-3-yl]-2-cyanoethenyl}furan-2-yl)benzoate
Compound characteristics
| Compound ID: | 3601-0575 |
| Compound Name: | ethyl 4-(5-{2-[5-amino-4-cyano-1-(2-hydroxyethyl)-1H-pyrazol-3-yl]-2-cyanoethenyl}furan-2-yl)benzoate |
| Molecular Weight: | 417.42 |
| Molecular Formula: | C22 H19 N5 O4 |
| Smiles: | CCOC(c1ccc(cc1)c1ccc(/C=C(C#N)/c2c(C#N)c(N)n(CCO)n2)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7848 |
| logD: | 2.7848 |
| logSw: | -2.8294 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 113.035 |
| InChI Key: | ZCFNJMPQQRGDIA-UHFFFAOYSA-N |