4-{[5-Chloro-4-(1H-Indol-3-Yl)-2-Pyrimidinyl]Amino}-N-Ethyl-1-Piperidinecarboxamide

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Properties Simple | Detailed

Formula C20H23ClN6O
IUPAC Name 4-[[5-chloro-4-(2h-indol-1-ium-2-ylium-3-yl)pyrimidin-2-yl]amino]-n-ethyl-piperidine-1-carboxamide
Molecular Mass 398.889 g·mol−1
Heat of Formation 55.1 ± 16.7 kJ·mol−1
Dipole Moment 2.20 ± 1.08 D
Volume 460.08 Å 3
Surface Area 408.77 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy 2.45 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[5-chloro-4-(1h-indol-3-yl)-2-pyrimidinyl]amino]-n-ethyl-1-piperidinecarboxamide
  • 4-[[5-chloro-4-(1h-indol-3-yl)pyrimidin-2-yl]amino]-n-ethyl-piperidine-1-carboxamide
  • 4-[[5-chloro-4-(1h-indol-3-yl)pyrimidin-2-yl]amino]-n-ethylpiperidine-1-carboxamide
  • j07
InChIKey ARMFMDYRYOKSOW-UHFFFAOYSA-N
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