xanafide

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1
Total Number of Articles : 1
PubChem 9802057
Molecular Formula

C20H23N3O7

SMILES

CN(C)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)N.C(C(C(=O)O)O)C(=O)O

InChI

InChI=1S/C16H17N3O2.C4H6O5/c1-18(2)6-7-19-15(20)12-5-3-4-10-8-11(17)9-13(14(10)12)16(19)21;5-2(4(8)9)1-3(6)7/h3-5,8-9H,6-7,17H2,1-2H3;2,5H,1H2,(H,6,7)(H,8,9)

synonyms
  • 618863-54-0 (malate)
  • Xanafide
  • 618863-60-8
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Properties
Property Value
MW 417.4 g/mol
HBD 4
HBA 9
Rotatable Bond Count 6
Exact Mass 417.15360008 g/mol
Monoisotopic Mass 417.15360008 g/mol
Heavy Atom Count 30
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 2
Complexity 566
xlogp None
Topological Polar Surface Area 162