3-{5-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
3-{5-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]furan-2-yl}benzoic acid
3-{5-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | 8011-1664 |
| Compound Name: | 3-{5-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]furan-2-yl}benzoic acid |
| Molecular Weight: | 374.35 |
| Molecular Formula: | C21 H14 N2 O5 |
| Smiles: | C(=C1/C(NN(C1=O)c1ccccc1)=O)/c1ccc(c2cccc(c2)C(O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.3173 |
| logD: | -0.1954 |
| logSw: | -3.6056 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.738 |
| InChI Key: | OQHJSOSZNUBMCF-UHFFFAOYSA-N |