• 
  [Synonyms]
  NSC625029
  AIDS131957
  AIDS-131957
  NCI60_007667
  2-(2-(Benzyl(2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl)amino)ethyl)-1H-isoindole-1,3(2H)-dione
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	453.48922 [g/mol]
  Molecular Formula	C27H23N3O4
  XLogP	3.6
  H-Bond Donor	0
  H-Bond Acceptor	5
  Rotatable Bond Count	8
  Exact Mass	453.168856
  MonoIsotopic Mass	453.168856
  Topological Polar Surface Area	78
  Heavy Atom Count	34
  Formal Charge	0
  Complexity	704
  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

  
  [ Descriptors Computed from Structure]
  IUPAC Name: 2-[2-[2-(1,
  3-dioxoisoindol-2-yl)ethyl-(phenylmethyl)amino]ethyl]isoindole-1,3-dione
  Canonical SMILES: C1=CC=C(C=C1)CN(CCN2C(=O)C3=CC=CC=C3C2=O)CCN4C(=O)C5=CC=CC=C5C4=O
  InChI: InChI=1/C27H23N3O4/c31-24-20-10-4-5-11-21(20)25(32)29(24)16-14-28(18-19-
  8-2-1-3-9-19)15-17-30-26(33)22-12-6-7-13-23(22)27(30)34/h1-13H,14-18H2