methyl 3-oxo-2-[(1-phenyl-3-{4-[(propan-2-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-1-benzofuran-5-carboxylate
Chemical Structure Depiction of
methyl 3-oxo-2-[(1-phenyl-3-{4-[(propan-2-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-1-benzofuran-5-carboxylate
methyl 3-oxo-2-[(1-phenyl-3-{4-[(propan-2-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-1-benzofuran-5-carboxylate
Compound characteristics
| Compound ID: | C711-0472 |
| Compound Name: | methyl 3-oxo-2-[(1-phenyl-3-{4-[(propan-2-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-1-benzofuran-5-carboxylate |
| Molecular Weight: | 480.52 |
| Molecular Formula: | C29 H24 N2 O5 |
| Smiles: | [H]C(=C1/C(c2cc(ccc2O1)C(=O)OC)=O)\c1cn(c2ccccc2)nc1c1ccc(cc1)OC(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.8911 |
| logD: | 5.8911 |
| logSw: | -5.5125 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.972 |
| InChI Key: | QZZYPTUYXULBDF-UHFFFAOYSA-N |