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Home> Hot Product Listed N   > n-(2,4-dimethoxyphenyl)-2-(4-oxo-1-propyl[1,2,4]triazolo[4,3-a]quinoxalin-5(4h)-yl)acetamide
853105-37-0 structure

n-(2,4-dimethoxyphenyl)-2-(4-oxo-1-propyl[1,2,4]triazolo[4,3-a]quinoxalin-5(4h)-yl)acetamide

Iupac Name:ethyl 4-hydroxy-1-methyl-6-oxopyridine-3-carboxylate
CAS No.:853105-37-0
Molecular Weight:197.19
Molecular Formula:C24H28N4OS (isomer)
Names and Identifiers
Synonyms

AKOS005713432 F3411-6606 MCULE-8908760359 MOLPORT-010-816-268 n-(2,4-dimethoxyphenyl)-2-(4-oxo-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-5(4h)-yl)acetamide STL084641 ZINC57522731

Inchi
InChI=1S/C9H11NO4/c1-3-14-9(13)6-5-10(2)8(12)4-7(6)11/h4-5,11H,3H2,1-2H3
InChkey
JWRGQTXEIAYASV-UHFFFAOYSA-N
Canonical Smiles
CCOC(=O)C1=CN(C(=O)C=C1O)C
Properties
Melting Point
117-119°
Safety and Handling
HazardClass
IRRITANT
Computational chemical data
  • Molecular Weight:197.19g/mol
  • Molecular Formula:C24H28N4OS
  • Compound Is Canonicalized:True
  • Exact Mass:197.069
  • Monoisotopic Mass:197.069
  • Complexity:330
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:66.8A^2
  • Heavy Atom Count:14
  • 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: AAADccByOAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHgAACAAADAThgAYCCAMABgCI AiHWWACAAAAgIAAACAEIAEgIBAQAIAACQAABYgAIscIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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