5-Chloro-3-({4-[(2,4-Diamino-5-Pyrimidinyl)Methyl]-6,7-Dimethoxy-1-Benzofuran-2-Yl}Methyl)-N,N-Dimethyl-1H-Indole-2-Carboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C27H27ClN6O4
IUPAC Name 5-chloro-3-[[4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-benzofuran-2-yl]methyl]-n,n-dimethyl-indol-1-ium-2-ylium-2-carboxamide
Molecular Mass 534.994 g·mol−1
Heat of Formation -273.0 ± 16.7 kJ·mol−1
Dipole Moment 6.17 ± 1.08 D
Volume 617.52 Å 3
Surface Area 443.68 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy 2.45 ± eV
Point Group Symmetry C1
Synonyms
  • 5-chloro-3-[[4-[(2,4-diamino-5-pyrimidinyl)methyl]-6,7-dimethoxy-2-benzofuranyl]methyl]-n,n-dimethyl-1h-indole-2-carboxamide
  • 5-chloro-3-[[4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-1-benzofuran-2-yl]methyl]-n,n-dimethyl-1h-indole-2-carboxamide
  • 5-chloro-3-[[4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-benzofuran-2-yl]methyl]-n,n-dimethyl-1h-indole-2-carboxamide
InChIKey ASSNCSVJAZEMQG-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl