4-Cyano-N-{(2R)-2-[4-(2,3-Dihydro-1,4-Benzodioxin-5-Yl)-1-Piperazinyl]Propyl}-N-(2-Pyridinyl)Benzamide

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Properties Simple | Detailed

Formula C28H30N5O3
IUPAC Name 4-cyano-n-[(2r)-2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]-n-pyridin-1-ium-2-yl-benzene-3,5-diide-1-carboxamide
Molecular Mass 484.570 g·mol−1
Heat of Formation 23.2 ± 16.7 kJ·mol−1
Dipole Moment 5.65 ± 1.08 D
Volume 576.57 Å 3
Surface Area 447.11 Å 2
HOMO Energy -8.21 ± 0.55 eV
LUMO Energy 1.96 ± eV
Point Group Symmetry C1
Synonyms
  • 4-cyano-n-[(2r)-2-[4-(2,3-dihydro-1,4-benzodioxin-8-yl)-1-piperazinyl]propyl]-n-(2-pyridyl)benzamide
  • 4-cyano-n-[(2r)-2-[4-(2,3-dihydro-1,4-benzodioxin-8-yl)piperazin-1-yl]propyl]-n-(2-pyridyl)benzamide
  • 4-cyano-n-[(2r)-2-[4-(2,3-dihydro-1,4-benzodioxin-8-yl)piperazin-1-yl]propyl]-n-pyridin-2-yl-benzamide
  • 4-cyano-n-[(2r)-2-[4-(2,3-dihydro-1,4-benzodioxin-8-yl)piperazin-1-yl]propyl]-n-pyridin-2-ylbenzamide
InChIKey NRPQELCNMADTOZ-OAQYLSRUSA-N
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