XL647


Chemical Name: XL647
CAS Number: 781613-23-8
Product Number: AG00G3QJ(AGN-PC-0WCYBK)
Synonyms:
MDL No: MFCD22124889
Molecular Formula: C24H25Cl2FN4O2
Molecular Weight: 491.3853

Identification/Properties


Computed Properties
Molecular Weight:
491.388g/mol
XLogP3:
5.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
6
Exact Mass:
490.134g/mol
Monoisotopic Mass:
490.134g/mol
Topological Polar Surface Area:
59.5A^2
Heavy Atom Count:
33
Formal Charge:
0
Complexity:
652
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
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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