Sapitinib

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Properties Simple | Detailed

Formula C23H25ClFN5O3
IUPAC Name 2-[4-[4-(3-chloro-2-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxy-1-piperidyl]-n-methyl-acetamide
Molecular Mass 473.928 g·mol−1
Heat of Formation -371.3 ± 16.7 kJ·mol−1
Dipole Moment 6.80 ± 1.08 D
Volume 534.99 Å 3
Surface Area 460.66 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[4-[(3-chloro-2-fluoro-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxy-1-piperidyl]-n-methyl-acetamide
  • 2-[4-[4-[(3-chloro-2-fluoro-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]-n-methyl-ethanamide
  • 2-[4-[4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-n-methylacetamide
  • 2-[4-[[4-[(3-chloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]oxy]-1-piperidinyl]-n-methylacetamide
InChIKey DFJSJLGUIXFDJP-UHFFFAOYSA-N
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Elements C F H Cl O N