Filgotinib

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Properties Simple | Detailed

Formula C21H24N5O3S+
IUPAC Name n-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6h-[1,2,4]triazolo[1,5-a]pyridin-4-ium-6-id-2-yl]cyclopropanecarboxamide
Molecular Mass 426.512 g·mol−1
Heat of Formation 41.0 ± 16.7 kJ·mol−1
Dipole Moment 5.95 ± 1.08 D
Volume 488.01 Å 3
Surface Area 427.15 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 2.16 ± eV
Point Group Symmetry C1
InChIKey RIJLVEAXPNLDTC-UHFFFAOYSA-N
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