ethyl {3,5-dimethyl-4-[2-(4-methyl-2-nitrophenoxy)acetamido]-1H-pyrazol-1-yl}acetate
Chemical Structure Depiction of
ethyl {3,5-dimethyl-4-[2-(4-methyl-2-nitrophenoxy)acetamido]-1H-pyrazol-1-yl}acetate
ethyl {3,5-dimethyl-4-[2-(4-methyl-2-nitrophenoxy)acetamido]-1H-pyrazol-1-yl}acetate
Compound characteristics
| Compound ID: | 8016-3629 |
| Compound Name: | ethyl {3,5-dimethyl-4-[2-(4-methyl-2-nitrophenoxy)acetamido]-1H-pyrazol-1-yl}acetate |
| Molecular Weight: | 390.39 |
| Molecular Formula: | C18 H22 N4 O6 |
| Smiles: | CCOC(Cn1c(C)c(c(C)n1)NC(COc1ccc(C)cc1[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.423 |
| logD: | 1.4229 |
| logSw: | -2.5081 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.099 |
| InChI Key: | MPWZHXSDAXZBGK-UHFFFAOYSA-N |