TAK-632


Chemical Name: TAK-632
CAS Number: 1228591-30-7
Product Number: AG000JM1(AGN-PC-0WAG59)
Synonyms:
MDL No:
Molecular Formula: C27H18F4N4O3S
Molecular Weight: 554.5154

Identification/Properties


Computed Properties
Molecular Weight:
554.52g/mol
XLogP3:
5.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
7
Exact Mass:
554.104g/mol
Monoisotopic Mass:
554.104g/mol
Topological Polar Surface Area:
132A^2
Heavy Atom Count:
39
Formal Charge:
0
Complexity:
957
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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