Navafenterol

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2
Total Number of Articles : 1
PubChem 71558565
Molecular Formula

C38H42N6O6S2

SMILES

CN(CCCN1C2=C(C=C(C=C2)CNC[C@@H](C3=C4C=CC(=O)NC4=C(C=C3)O)O)N=N1)C5CCC(CC5)OC(=O)C(C6=CC=CS6)(C7=CC=CS7)O

InChI

InChI=1S/C38H42N6O6S2/c1-43(25-8-10-26(11-9-25)50-37(48)38(49,33-5-2-19-51-33)34-6-3-20-52-34)17-4-18-44-30-14-7-24(21-29(30)41-42-44)22-39-23-32(46)27-12-15-31(45)36-28(27)13-16-35(47)40-36/h2-3,5-7,12-16,19-21,25-26,32,39,45-46,49H,4,8-11,17-18,22-23H2,1H3,(H,40,47)/t25?,26?,32-/m0/s1

synonyms
  • AZD8871
  • AZD-8871
  • Navafenterol
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Properties
Property Value
MW 742.9 g/mol
HBD 5
HBA 12
Rotatable Bond Count 15
Exact Mass 742.26072543 g/mol
Monoisotopic Mass 742.26072543 g/mol
Heavy Atom Count 52
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 1230
xlogp 3.9
Topological Polar Surface Area 219