Ethyl 4-[3-(3,4-dimethoxyphenyl)prop-2-enoylcarbamothioylamino]benzoate

Base Information

• Chemical Name: Ethyl 4-[3-(3,4-dimethoxyphenyl)prop-2-enoylcarbamothioylamino]benzoate
• CAS No.: 6978-73-0
• Molecular Formula: C21H22N2O5S
• Molecular Weight: 414.5
• DSSTox Substance ID: DTXSID90411762

Synonyms:6978-73-0;ethyl 4-[3-(3,4-dimethoxyphenyl)prop-2-enoylcarbamothioylamino]benzoate;DTXSID90411762

Chemical Property of Ethyl 4-[3-(3,4-dimethoxyphenyl)prop-2-enoylcarbamothioylamino]benzoate

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 414.12494298
• Heavy Atom Count: 29
• Complexity: 590

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

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Useful:

• Canonical SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC(=C(C=C2)OC)OC

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