4-{3-methyl-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Chemical Structure Depiction of
4-{3-methyl-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
4-{3-methyl-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Compound characteristics
| Compound ID: | 8012-6252 |
| Compound Name: | 4-{3-methyl-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid |
| Molecular Weight: | 362.38 |
| Molecular Formula: | C21 H18 N2 O4 |
| Smiles: | CC1Cc2cc(/C=C3/C(C)=NN(C3=O)c3ccc(cc3)C(O)=O)ccc2O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7848 |
| logD: | 1.3896 |
| logSw: | -3.9889 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.397 |
| InChI Key: | YDPGPSHUSXQXEG-GFCCVEGCSA-N |