3-(4-{[5-(4-carboxyphenyl)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-carboxyphenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
3-(4-{[5-(4-carboxyphenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 4169-2513 |
| Compound Name: | 3-(4-{[5-(4-carboxyphenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid |
| Molecular Weight: | 416.39 |
| Molecular Formula: | C23 H16 N2 O6 |
| Smiles: | CC1/C(=C/c2ccc(c3ccc(cc3)C(O)=O)o2)C(N(c2cccc(c2)C(O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5668 |
| logD: | 0.8391 |
| logSw: | -4.3788 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.973 |
| InChI Key: | QHCJFJHHCIHULO-UHFFFAOYSA-N |