3-[4-({5-[4-chloro-3-(propoxycarbonyl)phenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Chemical Structure Depiction of
3-[4-({5-[4-chloro-3-(propoxycarbonyl)phenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
3-[4-({5-[4-chloro-3-(propoxycarbonyl)phenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Compound characteristics
| Compound ID: | 3172-0799 |
| Compound Name: | 3-[4-({5-[4-chloro-3-(propoxycarbonyl)phenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid |
| Molecular Weight: | 492.92 |
| Molecular Formula: | C26 H21 Cl N2 O6 |
| Smiles: | CCCOC(c1cc(ccc1[Cl])c1ccc(/C=C2/C(C)=NN(C2=O)c2cccc(c2)C(O)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3321 |
| logD: | 3.4462 |
| logSw: | -5.7994 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.613 |
| InChI Key: | JEFRHYBFFMYEOR-UHFFFAOYSA-N |