Home Halogens 2-(4-(4-(4-(2-chlorophenylcarbaMoyl)phenylaMino)-5-fluoropyriMidin-2-ylaMino)phenyl)acetic acid

2-(4-(4-(4-(2-chlorophenylcarbaMoyl)phenylaMino)-5-fluoropyriMidin-2-ylaMino)phenyl)acetic acid

CAS No.:
1158838-42-6
Catalog Number:
AG008TBJ
Molecular Formula:
C25H19ClFN5O3
Molecular Weight:
491.9015
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Product Description
Catalog Number:
AG008TBJ
Chemical Name:
2-(4-(4-(4-(2-chlorophenylcarbaMoyl)phenylaMino)-5-fluoropyriMidin-2-ylaMino)phenyl)acetic acid
CAS Number:
1158838-42-6
Molecular Formula:
C25H19ClFN5O3
Molecular Weight:
491.9015
MDL Number:
MFCD18207064
IUPAC Name:
2-[4-[[4-[4-[(2-chlorophenyl)carbamoyl]anilino]-5-fluoropyrimidin-2-yl]amino]phenyl]acetic acid
InChI:
InChI=1S/C25H19ClFN5O3/c26-19-3-1-2-4-21(19)31-24(35)16-7-11-17(12-8-16)29-23-20(27)14-28-25(32-23)30-18-9-5-15(6-10-18)13-22(33)34/h1-12,14H,13H2,(H,31,35)(H,33,34)(H2,28,29,30,32)
InChI Key:
GXSQWRDYEMYDPB-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1)Nc1ncc(c(n1)Nc1ccc(cc1)C(=O)Nc1ccccc1Cl)F
Properties
Complexity:
703  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
491.116g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
491.907g/mol
Monoisotopic Mass:
491.116g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  
Properties