APS-2-79


Chemical Name: APS-2-79
CAS Number: 2002381-31-7
Product Number: AG01ENF9(AGN-PC-3H45KK)
Synonyms:
MDL No:
Molecular Formula: C23H22ClN3O3
Molecular Weight: 423.8921

Identification/Properties


Computed Properties
Molecular Weight:
423.897g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
6
Exact Mass:
423.135g/mol
Monoisotopic Mass:
423.135g/mol
Topological Polar Surface Area:
65.5A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
502
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

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NMR Spectrum


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