Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed B   > BIM-0029978.P001
518058-84-9 structure

BIM-0029978.P001

Iupac Name:5-fluoro-N-[(3-hydroxyphenyl)methyl]-1H-indole-2-carboxamide
CAS No.:518058-84-9
Molecular Weight:284.29
Molecular Formula:C13H11F3N2O (isomer)
Names and Identifiers
Synonyms

AB00095537-01 AC1LUMIX AKOS001626991 MOLPORT-000-650-733 n-[(5z)-5-(3-methoxy-4-propoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]isonicotinamide n-[(5z)-5-(3-methoxy-4-propoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]pyridine-4-carboxamide n-[(5z)-5-[(3-methoxy-4-propoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide n-{5-[(3-methoxy-4-propoxyphenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-y l)}-4-pyridylcarboxamide ST50182242 STL332052 STOCK2S-62714 ZINC1799479

Inchi
InChI=1S/C16H13FN2O2/c17-12-4-5-14-11(7-12)8-15(19-14)16(21)18-9-10-2-1-3-13(20)6-10/h1-8,19-20H,9H2,(H,18,21)
InChkey
TUIHIKXCMCXXJG-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC(=C1)O)CNC(=O)C2=CC3=C(N2)C=CC(=C3)F
Computational chemical data
  • Molecular Weight:284.29g/mol
  • Molecular Formula:C13H11F3N2O
  • Compound Is Canonicalized:True
  • Exact Mass:284.096
  • Monoisotopic Mass:284.096
  • Complexity:379
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:65.1A^2
  • Heavy Atom Count:21
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccB7MQAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHwAQCAAADAzBngwwxvLJkgCo AyVyVACCgCAnIiAImaG+bNgIZvLClbOUcQhk1hHI2Ye4yZCeAAABAAACAAAAAAIAAAQAAAAAAAAA AA==
 
<