tinostamustine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1
Total Number of Articles : 2
PubChem 46836227
Molecular Formula

C19H28Cl2N4O2

SMILES

CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCCCCC(=O)NO

InChI

InChI=1S/C19H28Cl2N4O2/c1-24-17-9-8-15(25(12-10-20)13-11-21)14-16(17)22-18(24)6-4-2-3-5-7-19(26)23-27/h8-9,14,27H,2-7,10-13H2,1H3,(H,23,26)

synonyms
  • Tinostamustine
  • EDO-S101
  • 1236199-60-2
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Properties
Property Value
MW 415.4 g/mol
HBD 2
HBA 4
Rotatable Bond Count 12
Exact Mass 414.1589315 g/mol
Monoisotopic Mass 414.1589315 g/mol
Heavy Atom Count 27
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 438
xlogp 3.6
Topological Polar Surface Area 70.4