ethyl (2S)-2-acetamido-3-(4-benzoylphenyl)-2-cyanopropanoate


Chemical Name: ethyl (2S)-2-acetamido-3-(4-benzoylphenyl)-2-cyanopropanoate
CAS Number: 104504-38-3
Product Number: AG008WVB(AGN-PC-05J239)
Synonyms:
MDL No:
Molecular Formula: C21H20N2O4
Molecular Weight: 364.3945

Identification/Properties


Computed Properties
Molecular Weight:
364.401g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
8
Exact Mass:
364.142g/mol
Monoisotopic Mass:
364.142g/mol
Topological Polar Surface Area:
96.3A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
595
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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