edoxaban

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 62
Total Number of Articles : 238
PubChem 10280735
Molecular Formula

C24H30ClN7O4S

SMILES

CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C

InChI

InChI=1S/C24H30ClN7O4S/c1-31(2)24(36)13-4-6-15(27-20(33)21(34)30-19-7-5-14(25)11-26-19)17(10-13)28-22(35)23-29-16-8-9-32(3)12-18(16)37-23/h5,7,11,13,15,17H,4,6,8-10,12H2,1-3H3,(H,27,33)(H,28,35)(H,26,30,34)/t13-,15-,17+/m0/s1

synonyms
  • EDOXABAN
  • 480449-70-5
  • UNII-NDU3J18APO
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Properties
Property Value
MW 548.1 g/mol
HBD 3
HBA 8
Rotatable Bond Count 5
Exact Mass 547.1768513 g/mol
Monoisotopic Mass 547.1768513 g/mol
Heavy Atom Count 37
Isotope Atom Count 0
Atom Stereo Count 3
Covalent Unit Count 1
Complexity 880
xlogp 1.4
Topological Polar Surface Area 165