N-{3-[3-(Dimethylamino)Propyl]-5-(Trifluoromethyl)Phenyl}-4-Methyl-3-{[3-(4-Pyrimidinyl)-2-Pyridinyl]Amino}Benzamide

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Formula C29H29F3N6O
IUPAC Name n-[3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl]-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridyl)amino]benzamide
Molecular Mass 534.575 g·mol−1
Heat of Formation -437.2 ± 16.7 kJ·mol−1
Dipole Moment 10.82 ± 1.08 D
Volume 635.44 Å 3
Surface Area 527.52 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 1.65 ± eV
Point Group Symmetry C1
Synonyms
  • n-[3-(3-dimethylaminopropyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridyl)amino]benzamide
  • n-[3-(3-dimethylaminopropyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]benzamide
  • n-[3-(3-dimethylaminopropyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[[3-(4-pyrimidinyl)-2-pyridyl]amino]benzamide
  • raj
InChIKey OHHGYJBFPVJURR-UHFFFAOYSA-N
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