3-(2-((phenylamino)carbonyl)ethenyl)-4,6-dichloroindole-2-carboxylic acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 3
Total Number of Articles : 3
PubChem 16759177
Molecular Formula

C18H11Cl2N2NaO3

SMILES

C1=CC=C(C=C1)NC(=O)/C=C/C2=C(NC3=C2C(=CC(=C3)Cl)Cl)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H12Cl2N2O3.Na/c19-10-8-13(20)16-12(17(18(24)25)22-14(16)9-10)6-7-15(23)21-11-4-2-1-3-5-11;/h1-9,22H,(H,21,23)(H,24,25);/q;+1/p-1/b7-6+;

synonyms
  • Gavestinel sodium
  • 153436-38-5
  • GV 150526A
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Properties
Property Value
MW 397.2 g/mol
HBD 2
HBA 3
Rotatable Bond Count 4
Exact Mass 396.0044419 g/mol
Monoisotopic Mass 396.0044419 g/mol
Heavy Atom Count 26
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 2
Complexity 543
xlogp None
Topological Polar Surface Area 85