3-[(5-Methyl-2-{[4-(4-Methyl-1-Piperazinyl)Phenyl]Amino}-4-Pyrimidinyl)Amino]-N-(2-Methyl-2-Propanyl)Benzenesulfonamide

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Properties Simple | Detailed

Formula C26H36N7O2S
IUPAC Name n-tert-butyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-1,3-diium-5-id-4-yl]amino]benzenesulfonamide
Molecular Mass 510.675 g·mol−1
Heat of Formation -53.8 ± 16.7 kJ·mol−1
Dipole Moment 3.43 ± 1.08 D
Volume 610.08 Å 3
Surface Area 459.79 Å 2
HOMO Energy -7.81 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • n-tert-butyl-3-[[5-methyl-2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]amino]benzenesulfonamide
  • n-tert-butyl-3-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]benzenesulfonamide
InChIKey JVDOKQYTTYUYDV-UHFFFAOYSA-N
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