4-({2-chloro-4-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-6-ethoxyphenoxy}methyl)benzoic acid

Base Information

• Chemical Name: 4-({2-chloro-4-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-6-ethoxyphenoxy}methyl)benzoic acid
• CAS No.: 692276-07-6
• Molecular Formula: C21H17ClN2O6S
• Molecular Weight: 460.9
• DSSTox Substance ID: DTXSID501107252
• Mol file: 692276-07-6.mol

Synonyms:4-({2-chloro-4-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-6-ethoxyphenoxy}methyl)benzoic acid;AH-487/41663772;DTXSID501107252;4-[[2-chloro-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-ethoxyphenoxy]methyl]benzoic acid;4-[[2-Chloro-6-ethoxy-4-[(tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]phenoxy]methyl]benzoic acid;692276-07-6

Chemical Property of 4-({2-chloro-4-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-6-ethoxyphenoxy}methyl)benzoic acid

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 460.0495851
• Heavy Atom Count: 31
• Complexity: 730

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MSDS Files:

Useful:

• Canonical SMILES: CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)NC2=O)Cl)OCC3=CC=C(C=C3)C(=O)O

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