Amuvatinib

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Formula C23H21N5O3S
IUPAC Name n-(1,3-benzodioxol-5-ylmethyl)-4-(benzofuro[3,2-d]pyrimidin-4-yl)piperazine-1-carbothioamide
Molecular Mass 447.510 g·mol−1
Heat of Formation 146.8 ± 16.7 kJ·mol−1
Dipole Moment 4.49 ± 1.08 D
Volume 497.16 Å 3
Surface Area 440.22 Å 2
HOMO Energy -8.32 ± 0.55 eV
LUMO Energy 2.01 ± eV
Point Group Symmetry C1
Synonyms
  • n-(1,3-benzodioxol-5-ylmethyl)-4-(4-benzofurano[2,3-e]pyrimidinyl)-1-piperazinecarbothioamide
  • n-(1,3-benzodioxol-5-ylmethyl)-4-([1]benzoxolo[2,3-e]pyrimidin-4-yl)piperazine-1-carbothioamide
  • n-(1,3-benzodioxol-5-ylmethyl)-4-(benzofurano[2,3-e]pyrimidin-4-yl)piperazine-1-carbothioamide
InChIKey FOFDIMHVKGYHRU-UHFFFAOYSA-N
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