bisbenzimide ethoxide trihydrochloride

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 170
Total Number of Articles : 272
PubChem 16760503
Molecular Formula

C27H31Cl3N6O

SMILES

CCOC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N6CCN(CC6)C.Cl.Cl.Cl

InChI

InChI=1S/C27H28N6O.3ClH/c1-3-34-21-8-4-18(5-9-21)26-28-22-10-6-19(16-24(22)30-26)27-29-23-11-7-20(17-25(23)31-27)33-14-12-32(2)13-15-33;;;/h4-11,16-17H,3,12-15H2,1-2H3,(H,28,30)(H,29,31);3*1H

synonyms
  • 875756-97-1
  • Bisbenzimide ethoxide trihydrochloride
  • Bisbenzimide H 33342
Click to show/hide the synonyms
Properties
Property Value
MW 561.9 g/mol
HBD 5
HBA 5
Rotatable Bond Count 5
Exact Mass 560.162493 g/mol
Monoisotopic Mass 560.162493 g/mol
Heavy Atom Count 37
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 4
Complexity 664
xlogp None
Topological Polar Surface Area 73.1