• 
  [Synonyms]
  NSC276360
  1H-Pyrrole-3,4-dimethanol, 1-(4-fluorophenyl)-2,5-dimethyl-, bis(methylcarbamate) (ester)
  64618-24-2
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	363.383383 [g/mol]
  Molecular Formula	C18H22FN3O4
  XLogP	2.3
  H-Bond Donor	2
  H-Bond Acceptor	6
  Rotatable Bond Count	7
  Tautomer Count	3
  Exact Mass	363.159434
  MonoIsotopic Mass	363.159434
  Topological Polar Surface Area	81.6
  Heavy Atom Count	26
  Formal Charge	0
  Complexity	453
  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: [1-(4-fluorophenyl)-2,
  5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl
  N-methylcarbamate
  Canonical SMILES: CC1=C(C(=C(N1C2=CC=C(C=C2)F)C)COC(=O)NC)COC(=O)NC
  InChI: InChI=1/C18H22FN3O4/c1-11-15(9-25-17(23)20-3)16(10-26-18(24)21-4)12(2)22
  (11)14-7-5-13(19)6-8-14/h5-8H,9-10H2,1-4H3,(H,20,23)(H,21,24)/f/h20-21H