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Home> Encyclopedia > Hot Product Listed M   > MOLPORT-010-837-821
1358741-29-3 structure

MOLPORT-010-837-821

Iupac Name:N-(3,4-dimethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide
CAS No.:1358741-29-3
Molecular Weight:395.437g/mol
Molecular Formula:C19H17N5O3S (isomer)
Names and Identifiers
Synonyms

2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylthio)-n-(3,4-dimethoxyphenyl)acetamide AKOS021664960 F3411-6771 MCULE-2746873754 n-(3,4-dimethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylthio)acetamide n-(3,4-dimethoxyphenyl)-2-{[1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl}acetamide ZINC64948854

Inchi
InChI=1S/C19H17N5O3S/c1-26-15-8-7-12(9-16(15)27-2)21-17(25)10-28-19-18-23-20-11-24(18)14-6-4-3-5-13(14)22-19/h3-9,11H,10H2,1-2H3,(H,21,25)
InChkey
LXWBBZVQQRITQU-UHFFFAOYSA-N
Canonical Smiles
COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N4C2=NN=C4)OC
Computational chemical data
  • Molecular Weight:395.437g/molg/mol
  • Molecular Formula:C19H17N5O3S
  • Compound Is Canonicalized:True
  • Exact Mass:395.105
  • Monoisotopic Mass:395.105
  • Complexity:542
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:116A^2
  • Heavy Atom Count:28
  • 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: AAADceB7sABAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFix9AAAHgQYAAAACAyF1wa397/MHAiq ASdzdACS3C9xurAd2CQ+/JiNbuLEuZuUsCpm3Bvq6CewUAMAAEAAAgAAQCAAgAAEAACAQAAAAAAA AA==
 
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