4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide


Chemical Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CAS Number: 152459-95-5
Product Number: AG00350H(AGN-PC-00PUK9)
Synonyms:
MDL No: MFCD05662257
Molecular Formula: C29H31N7O
Molecular Weight: 493.6027

Identification/Properties


Properties
MP:
208-210°C
Storage:
Keep in dry area;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
493.615g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
7
Exact Mass:
493.259g/mol
Monoisotopic Mass:
493.259g/mol
Topological Polar Surface Area:
86.3A^2
Heavy Atom Count:
37
Formal Charge:
0
Complexity:
706
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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