2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-2,2-diphenylacetonitrile


Chemical Name: 2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-2,2-diphenylacetonitrile
CAS Number: 133034-03-4
Product Number: AG0011JT(AGN-PC-03OAOF)
Synonyms:
MDL No:
Molecular Formula: C25H24N2O2S
Molecular Weight: 416.5353

Identification/Properties


Computed Properties
Molecular Weight:
416.539g/mol
XLogP3:
4.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
416.156g/mol
Monoisotopic Mass:
416.156g/mol
Topological Polar Surface Area:
69.6A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
696
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

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NMR Spectrum


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