ethyl {3,5-dimethyl-4-[2-(4-nitrophenoxy)acetamido]-1H-pyrazol-1-yl}acetate
Chemical Structure Depiction of
ethyl {3,5-dimethyl-4-[2-(4-nitrophenoxy)acetamido]-1H-pyrazol-1-yl}acetate
ethyl {3,5-dimethyl-4-[2-(4-nitrophenoxy)acetamido]-1H-pyrazol-1-yl}acetate
Compound characteristics
| Compound ID: | 8016-3614 |
| Compound Name: | ethyl {3,5-dimethyl-4-[2-(4-nitrophenoxy)acetamido]-1H-pyrazol-1-yl}acetate |
| Molecular Weight: | 376.37 |
| Molecular Formula: | C17 H20 N4 O6 |
| Smiles: | CCOC(Cn1c(C)c(c(C)n1)NC(COc1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2421 |
| logD: | 1.242 |
| logSw: | -2.5271 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.313 |
| InChI Key: | VSOCXLHHIKMUDG-UHFFFAOYSA-N |