• 
  [Synonyms]
  NSC366103
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	458.33384 [g/mol]
  Molecular Formula	C24H21Cl2NO4
  XLogP	5.8
  H-Bond Donor	2
  H-Bond Acceptor	5
  Rotatable Bond Count	9
  Tautomer Count	6
  Exact Mass	457.084764
  MonoIsotopic Mass	457.084764
  Topological Polar Surface Area	75.6
  Heavy Atom Count	31
  Formal Charge	0
  Complexity	598
  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-[2-[3-[[2-(benzoyl)-4-chlorophenyl]amino]-2-hydroxypropoxy]-5-
  chlorophenyl]ethanone
  Canonical SMILES: CC(=O)C1=C(C=CC(=C1)Cl)OCC(CNC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)O
  InChI: InChI=1/C24H21Cl2NO4/c1-15(28)20-11-18(26)8-10-23(20)31-14-19(29)13-27-
  22-9-7-17(25)12-21(22)24(30)16-5-3-2-4-6-16/h2-12,19,27,29H,13-14H2,1H3