methyl 2-{[3-(3-methyl-4-propoxyphenyl)-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-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
methyl 2-{[3-(3-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
Compound characteristics
| Compound ID: | C711-0457 |
| Compound Name: | methyl 2-{[3-(3-methyl-4-propoxyphenyl)-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)OCCC |
| Stereo: | ACHIRAL |
| logP: | 6.846 |
| logD: | 6.846 |
| logSw: | -5.6678 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.674 |
| InChI Key: | HCJGMWCHZOQFPR-UHFFFAOYSA-N |