4-[4-({5-[4-chloro-3-(ethoxycarbonyl)phenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Chemical Structure Depiction of
4-[4-({5-[4-chloro-3-(ethoxycarbonyl)phenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
4-[4-({5-[4-chloro-3-(ethoxycarbonyl)phenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Compound characteristics
| Compound ID: | 4357-3511 |
| Compound Name: | 4-[4-({5-[4-chloro-3-(ethoxycarbonyl)phenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid |
| Molecular Weight: | 478.89 |
| Molecular Formula: | C25 H19 Cl N2 O6 |
| Smiles: | CCOC(c1cc(ccc1[Cl])c1ccc(\C=C2/C(C)=NN(C2=O)c2ccc(cc2)C(O)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7264 |
| logD: | 3.3312 |
| logSw: | -5.5963 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.318 |
| InChI Key: | XBQCTMFKHJVUSM-UHFFFAOYSA-N |