THK5351

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 4
Total Number of Articles : 21
PubChem 91936858
Molecular Formula

C18H18FN3O2

SMILES

CNC1=NC=C(C=C1)C2=NC3=C(C=C2)C=C(C=C3)OC[C@@H](CF)O

InChI

InChI=1S/C18H18FN3O2/c1-20-18-7-3-13(10-21-18)17-5-2-12-8-15(4-6-16(12)22-17)24-11-14(23)9-19/h2-8,10,14,23H,9,11H2,1H3,(H,20,21)/t14-/m1/s1

synonyms
  • 1707147-26-9
  • THK-5351
  • JE3F6WUN31
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Properties
Property Value
MW 327.4 g/mol
HBD 2
HBA 6
Rotatable Bond Count 6
Exact Mass 327.13830499 g/mol
Monoisotopic Mass 327.13830499 g/mol
Heavy Atom Count 24
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 387
xlogp 2.8
Topological Polar Surface Area 67.3