[3,5-bis(trifluoromethyl)phenyl]methyl (2R)-2-acetamido-3-(1H-indol-3-yl)propanoate


Chemical Name: [3,5-bis(trifluoromethyl)phenyl]methyl (2R)-2-acetamido-3-(1H-indol-3-yl)propanoate
CAS Number: 148451-96-1
Product Number: AG001KXP(AGN-PC-075H4K)
Synonyms:
MDL No: MFCD00237267
Molecular Formula: C22H18F6N2O3
Molecular Weight: 472.3803

Identification/Properties


Computed Properties
Molecular Weight:
472.387g/mol
XLogP3:
4.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
7
Exact Mass:
472.122g/mol
Monoisotopic Mass:
472.122g/mol
Topological Polar Surface Area:
71.2A^2
Heavy Atom Count:
33
Formal Charge:
0
Complexity:
677
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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