• 
  [Synonyms]
  BRN 0588101
  LS-41437
  4H-(1)Benzothiopyrano(4,3-c)pyrazole-3-carboxamide, N-((1-ethyl-2-pyrrolidinyl)methyl)-1-phenyl-
  4H-(1)BENZOTHIOPYRANO(4,3-c)PYRAZOLE-3-CARBOXAMIDE, N-((1-ETHYL-2-PYRROLIDINYL)M
  69099-50-9
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	418.55444 [g/mol]
  Molecular Formula	C24H26N4OS
  XLogP	4.3
  H-Bond Donor	1
  H-Bond Acceptor	4
  Rotatable Bond Count	5
  Tautomer Count	2
  Exact Mass	418.182732
  MonoIsotopic Mass	418.182732
  Topological Polar Surface Area	50.2
  Heavy Atom Count	30
  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: N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-4H-thiochromeno[3,
  4-d]pyrazole-3-carboxamide
  Canonical SMILES: CCN1CCCC1CNC(=O)C2=NN(C3=C2CSC4=CC=CC=C43)C5=CC=CC=C5
  InChI: InChI=1/C24H26N4OS/c1-2-27-14-8-11-18(27)15-25-24(29)22-20-16-30-21-13-
  7-6-12-19(21)23(20)28(26-22)17-9-4-3-5-10-17/h3-7,9-10,12-13,18H,2,8,11,
  14-16H2,1H3,(H,25,29)/f/h25H