TAK-960


Chemical Name: TAK-960
CAS Number: 1137868-52-0
Product Number: AG0009NT(AGN-PC-0WAM8V)
Synonyms:
MDL No:
Molecular Formula: C27H34F3N7O3
Molecular Weight: 561.5992

Identification/Properties


Computed Properties
Molecular Weight:
561.61g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
11
Rotatable Bond Count:
6
Exact Mass:
561.268g/mol
Monoisotopic Mass:
561.268g/mol
Topological Polar Surface Area:
103A^2
Heavy Atom Count:
40
Formal Charge:
0
Complexity:
903
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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