ethyl (4-{(Z)-[1-(4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenoxy)acetate

Base Information

• Chemical Name: ethyl (4-{(Z)-[1-(4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenoxy)acetate
• CAS No.: 5787-37-1
• Molecular Formula: C21H19FN2O6
• Molecular Weight: 414.3838
• DSSTox Substance ID: DTXSID00359843
• Wikidata: Q82141240
• ChEMBL ID: CHEMBL1566093

Synonyms:STK389045;5787-37-1;MLS001209580;CHEMBL1566093;DTXSID00359843;HMS2830A18;AKOS000442482;SMR000515604;BIM-0033387.P001;AB00096819-01;{4-[1-(4-Fluoro-phenyl)-3,5-dioxo-pyrazolidin-4-ylidenemethyl]-2-methoxy-phenoxy}-acetic acid ethyl ester;ethyl (4-{(Z)-[1-(4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenoxy)acetate

Chemical Property of ethyl (4-{(Z)-[1-(4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenoxy)acetate

Chemical Property:

• Density: 1.354g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 414.12271449
• Heavy Atom Count: 30
• Complexity: 676

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)COC1=C(C=C(C=C1)C=C2C(=O)NN(C2=O)C3=CC=C(C=C3)F)OC
• Isomeric SMILES: CCOC(=O)COC1=C(C=C(C=C1)/C=C\2/C(=O)NN(C2=O)C3=CC=C(C=C3)F)OC

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