3-bromo-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide

Base Information

• Chemical Name: 3-bromo-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide
• CAS No.: 5649-21-8
• Molecular Formula: C15H10BrF3N2O2S
• DSSTox Substance ID: DTXSID80416564

Synonyms:5649-21-8;3-bromo-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide;3-bromo-N-[(Z)-(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]benzamide;AG-205/37023083;DTXSID80416564;ZUWFZUWFRBZXFU-MOSHPQCFSA-N;STK756660;AKOS001733190;3-bromo-N'-[(2Z)-1,1,1-trifluoro-4-oxo-4-(thiophen-2-yl)butan-2-ylidene]benzohydrazide;3-bromo-N'~1~-[(Z)-3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide

Chemical Property of 3-bromo-N'-[3-oxo-3-(2-thienyl)-1-(trifluoromethyl)propylidene]benzohydrazide

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 417.95985
• Heavy Atom Count: 24
• Complexity: 513

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Br)C(=O)NN=C(CC(=O)C2=CC=CS2)C(F)(F)F
• Isomeric SMILES: C1=CC(=CC(=C1)Br)C(=O)N/N=C(/CC(=O)C2=CC=CS2)\C(F)(F)F

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