4-[(4-Methyl-1-Piperazinyl)Methyl]-N-(3-{[4-(3-Pyridinyl)-2-Pyrimidinyl]Amino}Phenyl)Benzamide

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Properties Simple | Detailed

Formula C28H29N7O
IUPAC Name 4-[(4-methylpiperazin-1-yl)methyl]-n-[3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide
Molecular Mass 479.576 g·mol−1
Heat of Formation 384.0 ± 16.7 kJ·mol−1
Dipole Moment 5.77 ± 1.08 D
Volume 575.12 Å 3
Surface Area 512.73 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy 2.09 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(4-methyl-1-piperazinyl)methyl]-n-[3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-benzamide
  • 4-[(4-methylpiperazin-1-yl)methyl]-n-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
  • 4-[(4-methylpiperazin-1-yl)methyl]-n-{3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide
  • mpz
InChIKey JHMBUEWQJDGKGS-UHFFFAOYSA-N
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