N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]prop-2-enamide;4-methylbenzenesulfonic acid


Chemical Name: N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]prop-2-enamide;4-methylbenzenesulfonic acid
CAS Number: 1050500-29-2
Product Number: AG008TDK(AGN-PC-04W1NP)
Synonyms:
MDL No:
Molecular Formula: C31H26ClFN4O5S
Molecular Weight: 621.0783

Identification/Properties


Computed Properties
Molecular Weight:
621.08g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
8
Exact Mass:
620.13g/mol
Monoisotopic Mass:
620.13g/mol
Topological Polar Surface Area:
139A^2
Heavy Atom Count:
43
Formal Charge:
0
Complexity:
848
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:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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