Afatinib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 236
Total Number of Articles : 1017
PubChem 10184653
Molecular Formula

C24H25ClFN5O3

SMILES

CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4

InChI

InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1

synonyms
  • Afatinib
  • 439081-18-2
  • 850140-72-6
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Properties
Property Value
MW 485.9 g/mol
HBD 2
HBA 8
Rotatable Bond Count 8
Exact Mass 485.1629955 g/mol
Monoisotopic Mass 485.1629955 g/mol
Heavy Atom Count 34
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 702
xlogp 3.6
Topological Polar Surface Area 88.6