methyl 2-{[3-(3-fluoro-4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
Chemical Structure Depiction of
methyl 2-{[3-(3-fluoro-4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
methyl 2-{[3-(3-fluoro-4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
Compound characteristics
| Compound ID: | C711-0474 |
| Compound Name: | methyl 2-{[3-(3-fluoro-4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate |
| Molecular Weight: | 454.46 |
| Molecular Formula: | C27 H19 F N2 O4 |
| Smiles: | [H]C(=C1/C(c2cc(ccc2O1)C(=O)OC)=O)\c1cn(c2ccccc2)nc1c1ccc(C)c(c1)F |
| Stereo: | ACHIRAL |
| logP: | 5.9806 |
| logD: | 5.9806 |
| logSw: | -5.5052 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.169 |
| InChI Key: | UXQNBUVZNSLPHO-UHFFFAOYSA-N |