3-Chloro-N-[(1R,2S)-2-{[4-(2-Oxo-1(2H)-Pyridinyl)Benzoyl]Amino}Cyclohexyl]-1H-Indole-6-Carboxamide

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Properties Simple | Detailed

Formula C27H25ClN4O3
IUPAC Name 3-chloro-n-[(1r,2s)-2-[[4-(2-oxo-1-pyridyl)benzoyl]amino]cyclohexyl]indol-1-ium-3a-ide-6-carboxamide
Molecular Mass 488.965 g·mol−1
Heat of Formation -219.9 ± 16.7 kJ·mol−1
Dipole Moment 6.97 ± 1.08 D
Volume 563.26 Å 3
Surface Area 476.84 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
Synonyms
  • 3-chloro-n-[(1r,2s)-2-[[4-(2-keto-1-pyridyl)benzoyl]amino]cyclohexyl]-1h-indole-6-carboxamide
  • 3-chloro-n-[(1r,2s)-2-[[4-(2-oxo-1-pyridyl)benzoyl]amino]cyclohexyl]-1h-indole-6-carboxamide
  • 3-chloro-n-[(1r,2s)-2-[[4-(2-oxopyridin-1-yl)phenyl]carbonylamino]cyclohexyl]-1h-indole-6-carboxamide
  • 3-chloro-n-[(1r,2s)-2-[[oxo-[4-(2-oxo-1-pyridyl)phenyl]methyl]amino]cyclohexyl]-1h-indole-6-carboxamide
  • me4
InChIKey PMRPPULYFDNTHJ-XZOQPEGZSA-N
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