N-[2-Fluoro-4-(trifluoromethyl)phenyl]valine cyano(3-phenoxyphenyl)methyl ester

Base Information

• Chemical Name: N-[2-Fluoro-4-(trifluoromethyl)phenyl]valine cyano(3-phenoxyphenyl)methyl ester
• CAS No.: 69409-99-0
• Molecular Formula: C26H22F4N2O3
• DSSTox Substance ID: DTXSID901135225

Synonyms:SCHEMBL11052333;SCHEMBL17118291;HHHQJXBVDFPAIO-UHFFFAOYSA-N;DTXSID901135225;N-[2-Fluoro-4-(trifluoromethyl)phenyl]valine cyano(3-phenoxyphenyl)methyl ester;69409-99-0;[cyano-(3-phenoxyphenyl)methyl] 2-[2-fluoro-4-(trifluoromethyl)anilino]-3-methylbutanoate

Chemical Property of N-[2-Fluoro-4-(trifluoromethyl)phenyl]valine cyano(3-phenoxyphenyl)methyl ester

Chemical Property:

• XLogP3: 7.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 486.15665522
• Heavy Atom Count: 35
• Complexity: 732

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• Canonical SMILES: CC(C)C(C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)F

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