3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea


Chemical Name: 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea
CAS Number: 872511-34-7
Product Number: AG00GU4Z(AGN-PC-09O6B8)
Synonyms:
MDL No:
Molecular Formula: C26H31Cl2N7O3
Molecular Weight: 560.4754

Identification/Properties


Computed Properties
Molecular Weight:
560.48g/mol
XLogP3:
4.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
8
Exact Mass:
559.187g/mol
Monoisotopic Mass:
559.187g/mol
Topological Polar Surface Area:
95.1A^2
Heavy Atom Count:
38
Formal Charge:
0
Complexity:
724
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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