3-(3-(4-(5-Methoxy-4-Pyrimidinyl)-1-Piperazinyl)Propyl)-N-Methyl-1H-Indole-5-Methanesulfonamide

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Properties Simple | Detailed

Formula C22H30N6O3S
IUPAC Name 1-[3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]indol-1-ium-5-yl]-n-methyl-methanesulfonamide
Molecular Mass 458.577 g·mol−1
Heat of Formation -207.3 ± 16.7 kJ·mol−1
Dipole Moment 4.52 ± 1.08 D
Volume 535.67 Å 3
Surface Area 411.0 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[3-[3-[4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl]propyl]-1h-indol-5-yl]-n-methylmethanesulfonamide
  • 1-[3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1h-indol-5-yl]-n-methyl-methanesulfonamide
  • 1-[3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1h-indol-5-yl]-n-methylmethanesulfonamide
  • 1h-indole-5-methanesulfonamide, 3-(3-(4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl)propyl)-n-methyl-
  • 3-(3-(4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl)propyl)-n-methylindole-5-methanesulfonamide
  • avitriptan
CAS Number(s)
  • 151140-96-4
InChIKey WRZVGHXUPBWIOO-UHFFFAOYSA-N
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