• 
  [Synonyms]
  NSC697169
  AIDS152586
  AIDS-152586
  NCI60_034638
  4H-1,2,4-Triazol-4-amine, 3,3'-(1,8-octanediyl)bis[5-[(2,4-dichlorophenoxy)methyl]- N-phenyl-
  N-(3-(8-(4-Anilino-5-((2,4-dichlorophenoxy)methyl)-4H-1,2,4-triazol-3-yl)octyl)-5-((2,4-dichlorophenoxy)methyl)-4H-1,2,4-triazol-4-yl)-N-phenylamine
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	780.57272 [g/mol]
  Molecular Formula	C38H38Cl4N8O2
  XLogP	13.4
  H-Bond Donor	2
  H-Bond Acceptor	10
  Rotatable Bond Count	19
  Exact Mass	780.184233
  MonoIsotopic Mass	778.187183
  Topological Polar Surface Area	104
  Heavy Atom Count	52
  Formal Charge	0
  Complexity	925
  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: 3-[(2,4-dichlorophenoxy)methyl]-5-[8-[5-[(2,
  4-dichlorophenoxy)methyl]-4-(phenylamino)-1,2,
  4-triazol-3-yl]octyl]-N-phenyl-1,2,4-triazol-4-amine
  Canonical SMILES: C1=CC=C(C=C1)NN2C(=NN=C2COC3=C(C=C(C=C3)Cl)Cl)CCCCCCCCC4=NN=C(N4NC5=CC=
  CC=C5)COC6=C(C=C(C=C6)Cl)Cl
  InChI: InChI=1/C38H38Cl4N8O2/c39-27-19-21-33(31(41)23-27)51-25-37-45-43-35(49
  (37)47-29-13-7-5-8-14-29)17-11-3-1-2-4-12-18-36-44-46-38(50(36)48-30-15-
  9-6-10-16-30)26-52-34-22-20-28(40)24-32(34)42/h5-10,13-16,19-24,47-48H,
  1-4,11-12,17-18,25-26H2