ChemDiv1_008674
4-[3-(2,3-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: ChemDiv1_008674|Oprea1_800474|HMS611K06|AB00120227-01|SR-01000474242-1|4-[5-(2,3-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid|4-[3-(3,4-dimethoxyphenyl)-5-(2,3-dimethoxyphenyl)(2-pyrazolinyl)]-4-oxobutano ic acid|4-(5-(2,3-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1h-pyrazol-1-yl)-4-oxobutanoic acid|4-[3-(2,3-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
| Molecular Formula | C23H26N2O7 |
|---|---|
| Molecular Weight | 442.174 g/mol |
| LogP | 3.2635 |
| Topological Polar Surface Area | 106.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 442.174 |
| Monoisotopic Mass | 442.174 |
| Heavy Atoms | 32 |
| Complexity | 1035.0001 |
Chemical Identifiers
| CAS Number | 369394-34-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN(C(C2)C3=C(C(=CC=C3)OC)OC)C(=O)CCC(=O)O)OC |
Product Overview
ChemDiv1_008674 (CAS 369394-34-3), with molecular formula C23H26N2O7 and molecular weight 442.174 g/mol. IUPAC: 4-[3-(2,3-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
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