Tozasertib

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Properties Simple | Detailed

Formula C23H28N8OS
IUPAC Name n-[4-[4-(4-methylpiperazin-1-yl)-6-[(5-methylpyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
Molecular Mass 464.586 g·mol−1
Heat of Formation 3997.3 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 464.75 Å 3
Surface Area 403.9 Å 2
HOMO Energy -8.21 ± 0.55 eV
LUMO Energy -3.13 ± eV
Point Group Symmetry C1
Synonyms
  • mk-0457
  • n-[4-[[4-(4-methyl-1-piperazinyl)-6-[(5-methyl-1h-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]phenyl]cyclopropanecarboxamide
  • n-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1h-pyrazol-3-yl)amino]pyrimidin-2-yl]thio]phenyl]cyclopropanecarboxamide
  • vx-680
  • vx6
InChIKey GCIKSSRWRFVXBI-UHFFFAOYSA-N
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