methyl 2-[(3-{3-methyl-4-[(propan-2-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
Chemical Structure Depiction of
methyl 2-[(3-{3-methyl-4-[(propan-2-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
methyl 2-[(3-{3-methyl-4-[(propan-2-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
Compound characteristics
| Compound ID: | C711-0470 |
| Compound Name: | methyl 2-[(3-{3-methyl-4-[(propan-2-yl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate |
| Molecular Weight: | 494.55 |
| Molecular Formula: | C30 H26 N2 O5 |
| Smiles: | [H]C(=C1/C(c2cc(ccc2O1)C(=O)OC)=O)\c1cn(c2ccccc2)nc1c1ccc(c(C)c1)OC(C)C |
| Stereo: | ACHIRAL |
| logP: | 6.4467 |
| logD: | 6.4467 |
| logSw: | -5.674 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.059 |
| InChI Key: | FONBAQPLGBCLQP-UHFFFAOYSA-N |