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1439934-41-4 | Benzamide, 2-[[5-chloro-2-[[4-(1-piperazinyl)phenyl]amino]-4-pyrimidinyl]amino]-N-methyl-
CAS No: 1439934-41-4 Catalog No: AG001IPI MDL No:MFCD28137930
Product Description
Catalog Number:
AG001IPI
Chemical Name:
Benzamide, 2-[[5-chloro-2-[[4-(1-piperazinyl)phenyl]amino]-4-pyrimidinyl]amino]-N-methyl-
CAS Number:
1439934-41-4
Molecular Formula:
C22H24ClN7O
Molecular Weight:
437.9253
MDL Number:
MFCD28137930
IUPAC Name:
2-[[5-chloro-2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]amino]-N-methylbenzamide
InChI:
InChI=1S/C22H24ClN7O/c1-24-21(31)17-4-2-3-5-19(17)28-20-18(23)14-26-22(29-20)27-15-6-8-16(9-7-15)30-12-10-25-11-13-30/h2-9,14,25H,10-13H2,1H3,(H,24,31)(H2,26,27,28,29)
InChI Key:
FCLOIQHNUARDSR-UHFFFAOYSA-N
SMILES:
CNC(=O)c1ccccc1Nc1nc(ncc1Cl)Nc1ccc(cc1)N1CCNCC1
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.173g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
437.932g/mol
Monoisotopic Mass:
437.173g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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