1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]urea


Chemical Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]urea
CAS Number: 330796-24-2
Product Number: AG00CA1Y(AGN-PC-0MVL9F)
Synonyms:
MDL No:
Molecular Formula: C23H15ClF4N4O2
Molecular Weight: 490.8374

Identification/Properties


Computed Properties
Molecular Weight:
490.843g/mol
XLogP3:
4.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
4
Exact Mass:
490.082g/mol
Monoisotopic Mass:
490.082g/mol
Topological Polar Surface Area:
73.8A^2
Heavy Atom Count:
34
Formal Charge:
0
Complexity:
787
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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