Edoxaban

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Formula C24H30ClN7O4S
IUPAC Name n-(5-chloro-2-pyridyl)-n'-[(1s,2r,4s)-4-(dimethylcarbamoyl)-2-[[(5s)-5-methyl-6,7-dihydro-4h-thiazolo[5,4-c]pyridine-2-carbonyl]amino]cyclohexyl]oxamide
Molecular Mass 548.057 g·mol−1
Heat of Formation -468.9 ± 16.7 kJ·mol−1
Dipole Moment 11.40 ± 1.08 D
Volume 631.63 Å 3
Surface Area 525.94 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
Synonyms
  • n'-(5-chloro-2-pyridyl)-n-[(1s,2r,4s)-4-(dimethylamino-oxomethyl)-2-[[(5-methyl-6,7-dihydro-4h-thiazolo[5,4-c]pyridin-2-yl)-oxomethyl]amino]cyclohexyl]oxamide
  • n'-(5-chloro-2-pyridyl)-n-[(1s,2r,4s)-4-(dimethylcarbamoyl)-2-[(5-methyl6,7-dihydro-4h-thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide
  • n'-(5-chloropyridin-2-yl)-n-[(1s,2r,4s)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4h-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonylamino]cyclohexyl]ethanediamide
InChIKey HGVDHZBSSITLCT-JLJPHGGASA-N
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