• 
  [Synonyms]
  NSC706193
  NCI60_037875
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	445.46876 [g/mol]
  Molecular Formula	C28H19N3O3
  XLogP	6.1
  H-Bond Donor	0
  H-Bond Acceptor	4
  Rotatable Bond Count	3
  Exact Mass	445.142641
  MonoIsotopic Mass	445.142641
  Topological Polar Surface Area	75.8
  Heavy Atom Count	34
  Formal Charge	0
  Complexity	797
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	0
  Undefined Atom StereoCenter Count	1
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	1

  
  [ Descriptors Computed from Structure]
  IUPAC Name: 1-(4-nitrophenyl)-2,2-di(phenyl)-1H-azeto[4,1-b]quinazolin-8-one
  Canonical SMILES: C1=CC=C(C=C1)C2(C(N3C2=NC4=CC=CC=C4C3=O)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=
  CC=C6
  InChI: InChI=1/C28H19N3O3/c32-26-23-13-7-8-14-24(23)29-27-28(20-9-3-1-4-10-20,
  21-11-5-2-6-12-21)25(30(26)27)19-15-17-22(18-16-19)31(33)34/h1-18,25H