2-{[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5-bromo-1-benzofuran-3(2H)-one
Chemical Structure Depiction of
2-{[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5-bromo-1-benzofuran-3(2H)-one
2-{[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5-bromo-1-benzofuran-3(2H)-one
Compound characteristics
| Compound ID: | Y070-2712 |
| Compound Name: | 2-{[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5-bromo-1-benzofuran-3(2H)-one |
| Molecular Weight: | 483.32 |
| Molecular Formula: | C26 H15 Br N2 O3 |
| Smiles: | C(=C1/C(c2cc(ccc2O1)[Br])=O)\c1cn(c2ccccc2)nc1c1cc2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 6.8112 |
| logD: | 6.8112 |
| logSw: | -6.9431 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.289 |
| InChI Key: | SMAKYQXTYWYUGY-UHFFFAOYSA-N |