• 
  [Synonyms]
  NSC629867
  AIDS044521
  AIDS-044521
  NCI60_009715
  3-(2,4-Dichloro-phenoxymethyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	391.27438 [g/mol]
  Molecular Formula	C17H12Cl2N4OS
  XLogP	5.4
  H-Bond Donor	0
  H-Bond Acceptor	5
  Rotatable Bond Count	4
  Tautomer Count	2
  Exact Mass	390.010887
  MonoIsotopic Mass	390.010887
  Topological Polar Surface Area	52.3
  Heavy Atom Count	25
  Formal Charge	0
  Complexity	491
  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]-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,
  4]thiadiazine
  Canonical SMILES: C1C(=NN2C(=NN=C2S1)COC3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4
  InChI: InChI=1/C17H12Cl2N4OS/c18-12-6-7-15(13(19)8-12)24-9-16-20-21-17-23(16)
  22-14(10-25-17)11-4-2-1-3-5-11/h1-8H,9-10H2