bometolol

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 3
Total Number of Articles : 2
PubChem 68850
Molecular Formula

C25H32N2O7

SMILES

CC(=O)COC1=C2C(=C(C=C1)OCC(CNCCC3=CC(=C(C=C3)OC)OC)O)CCC(=O)N2

InChI

InChI=1S/C25H32N2O7/c1-16(28)14-33-22-8-7-20(19-5-9-24(30)27-25(19)22)34-15-18(29)13-26-11-10-17-4-6-21(31-2)23(12-17)32-3/h4,6-8,12,18,26,29H,5,9-11,13-15H2,1-3H3,(H,27,30)

synonyms
  • Bometolol
  • 65008-93-7
  • Bometolol [INN]
Click to show/hide the synonyms
Properties
Property Value
MW 472.5 g/mol
HBD 3
HBA 8
Rotatable Bond Count 13
Exact Mass 472.22095136 g/mol
Monoisotopic Mass 472.22095136 g/mol
Heavy Atom Count 34
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 649
xlogp 1.6
Topological Polar Surface Area 115