methyl 2-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
Chemical Structure Depiction of
methyl 2-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
methyl 2-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
Compound characteristics
| Compound ID: | C711-0469 |
| Compound Name: | methyl 2-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate |
| Molecular Weight: | 478.5 |
| Molecular Formula: | C29 H22 N2 O5 |
| Smiles: | [H]C(=C1/C(c2cc(ccc2O1)C(=O)OC)=O)\c1cn(c2ccccc2)nc1c1ccc2c(CC(C)O2)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7836 |
| logD: | 5.7836 |
| logSw: | -5.4876 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.571 |
| InChI Key: | PAJJVJNBGSYVCX-QGZVFWFLSA-N |