4-{4-[2-(3-methyl-4-nitrophenoxy)acetamido]-1H-pyrazol-1-yl}butanoic acid
Chemical Structure Depiction of
4-{4-[2-(3-methyl-4-nitrophenoxy)acetamido]-1H-pyrazol-1-yl}butanoic acid
4-{4-[2-(3-methyl-4-nitrophenoxy)acetamido]-1H-pyrazol-1-yl}butanoic acid
Compound characteristics
| Compound ID: | 8016-3682 |
| Compound Name: | 4-{4-[2-(3-methyl-4-nitrophenoxy)acetamido]-1H-pyrazol-1-yl}butanoic acid |
| Molecular Weight: | 362.34 |
| Molecular Formula: | C16 H18 N4 O6 |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)OCC(Nc1cnn(CCCC(O)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9935 |
| logD: | -1.7257 |
| logSw: | -2.1164 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.835 |
| InChI Key: | ONHWITUZXYBLSM-UHFFFAOYSA-N |