3-[4-({5-[3-(butoxycarbonyl)-4-chlorophenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Chemical Structure Depiction of
3-[4-({5-[3-(butoxycarbonyl)-4-chlorophenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
3-[4-({5-[3-(butoxycarbonyl)-4-chlorophenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Compound characteristics
| Compound ID: | 2082-0529 |
| Compound Name: | 3-[4-({5-[3-(butoxycarbonyl)-4-chlorophenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid |
| Molecular Weight: | 506.94 |
| Molecular Formula: | C27 H23 Cl N2 O6 |
| Smiles: | CCCCOC(c1cc(ccc1[Cl])c1ccc(/C=C2/C(C)=NN(C2=O)c2cccc(c2)C(O)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.805 |
| logD: | 3.9192 |
| logSw: | -5.907 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.613 |
| InChI Key: | BFFAIQRUDHYDOM-UHFFFAOYSA-N |