2-Chloro-3-(1-Cyanocyclopropyl)-N-[5-({2-[(Cyclopropylcarbonyl)Amino][1,3]Thiazolo[5,4-B]Pyridin-5-Yl}Oxy)-2-Fluorophenyl]Benzamide

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Properties Simple | Detailed

Formula C27H19ClFN5O3S
IUPAC Name 2-chloro-3-(1-cyanocyclopropyl)-n-[5-[2-(cyclopropanecarbonylamino)thiazolo[5,4-b]pyridin-5-yl]oxy-2-fluoro-phenyl]benzamide
Molecular Mass 547.988 g·mol−1
Heat of Formation 21.9 ± 16.7 kJ·mol−1
Dipole Moment 3.06 ± 1.08 D
Volume 591.84 Å 3
Surface Area 518.15 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 2.10 ± eV
Point Group Symmetry C1
InChIKey MDPMAXSABUPRJI-UHFFFAOYSA-N
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Elements C Cl H F O N S