CO 1686


Chemical Name: CO 1686
CAS Number: 1374640-70-6
Product Number: AG0039L5(AGN-PC-0WAG5M)
Synonyms:
MDL No:
Molecular Formula: C27H28F3N7O3
Molecular Weight: 555.5515

Identification/Properties


Computed Properties
Molecular Weight:
555.562g/mol
XLogP3:
4
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
11
Rotatable Bond Count:
8
Exact Mass:
555.221g/mol
Monoisotopic Mass:
555.221g/mol
Topological Polar Surface Area:
112A^2
Heavy Atom Count:
40
Formal Charge:
0
Complexity:
871
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:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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