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Home> Hot Product Listed T   > T6651049
361390-39-8 structure

T6651049

Iupac Name:ethyl 4-(quinoxalin-2-ylamino)benzoate
CAS No.:361390-39-8
Molecular Weight:293.326
Molecular Formula:C5H3CL3N4 (isomer)
Names and Identifiers
Synonyms

1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]piperazine MCULE-6236503235 MOLPORT-009-169-951 Z285608946 ZINC48324406

Inchi
InChI=1S/C17H15N3O2/c1-2-22-17(21)12-7-9-13(10-8-12)19-16-11-18-14-5-3-4-6-15(14)20-16/h3-11H,2H2,1H3,(H,19,20)
InChkey
ZCLXAFUZIXNJHF-UHFFFAOYSA-N
Canonical Smiles
CCOC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2
Properties
Refractive Index
1.669
Computational chemical data
  • Molecular Weight:293.326g/mol
  • Molecular Formula:C5H3CL3N4
  • Compound Is Canonicalized:True
  • Exact Mass:293.116
  • Monoisotopic Mass:293.116
  • Complexity:369
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Heavy Atom Count:22
  • 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
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