4-{4-[2-(4-methyl-2-nitrophenoxy)acetamido]-1H-pyrazol-1-yl}butanoic acid
Chemical Structure Depiction of
4-{4-[2-(4-methyl-2-nitrophenoxy)acetamido]-1H-pyrazol-1-yl}butanoic acid
4-{4-[2-(4-methyl-2-nitrophenoxy)acetamido]-1H-pyrazol-1-yl}butanoic acid
Compound characteristics
Compound ID: | 8016-3641 |
Compound Name: | 4-{4-[2-(4-methyl-2-nitrophenoxy)acetamido]-1H-pyrazol-1-yl}butanoic acid |
Molecular Weight: | 362.34 |
Molecular Formula: | C16 H18 N4 O6 |
Smiles: | Cc1ccc(c(c1)[N+]([O-])=O)OCC(Nc1cnn(CCCC(O)=O)c1)=O |
Stereo: | ACHIRAL |
logP: | 0.6313 |
logD: | -2.0879 |
logSw: | -2.0643 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 106.922 |
InChI Key: | COPSMCHWVCKPCM-UHFFFAOYSA-N |