(4-{[9-Chloro-7-(2,6-Difluorophenyl)-5H-Pyrimido[5,4-D][2]Benzazepin-2-Yl]Amino}Phenyl)(4-Methyl-1-Piperazinyl)Methanone

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Properties Simple | Detailed

Formula C30H25ClF2N6O
IUPAC Name [4-[[9-chloro-7-(2,6-difluorophenyl)-5h-pyrimido[5,4-d][2]benzazepin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
Molecular Mass 559.009 g·mol−1
Heat of Formation 5.9 ± 16.7 kJ·mol−1
Dipole Moment 3.69 ± 1.08 D
Volume 624.75 Å 3
Surface Area 522.03 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 1.83 ± eV
Point Group Symmetry C1
Synonyms
  • [4-[[9-chloro-7-(2,6-difluorophenyl)-5h-pyrimido[5,4-d][2]benzazepin-2-yl]amino]phenyl]-(4-methyl-1-piperazinyl)methanone
  • [4-[[9-chloro-7-(2,6-difluorophenyl)-5h-pyrimido[5,4-d][2]benzazepin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
InChIKey SEYRFEUDBMZPCH-UHFFFAOYSA-N
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