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Home> Hot Product Listed 4   > 4-(2-bromo-4-methylphenoxy)-n-ethylpyridine-2-carboxamide
53704-21-5 structure

4-(2-bromo-4-methylphenoxy)-n-ethylpyridine-2-carboxamide

Iupac Name:2-[2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-3,4-dihydronaphthalen-1-one
CAS No.:53704-21-5
Molecular Weight:333.449g/mol
Molecular Formula:C20H23N5O3 (isomer)
Names and Identifiers
Synonyms

AKOS009543148 MCULE-7982917097 MOLPORT-015-100-004 Z1272113828 ZINC35673910

Inchi
InChI=1S/C21H19NOS/c1-2-22-18-9-5-6-10-19(18)24-20(22)14-13-16-12-11-15-7-3-4-8-17(15)21(16)23/h3-10,13-14H,2,11-12H2,1H3
InChkey
YSUNOCYISGYCCX-UHFFFAOYSA-N
Canonical Smiles
CCN1C2=CC=CC=C2SC1=CC=C3CCC4=CC=CC=C4C3=O
Properties
Refractive Index
1.76
Computational chemical data
  • Molecular Weight:333.449g/molg/mol
  • Molecular Formula:C20H23N5O3
  • Compound Is Canonicalized:True
  • Exact Mass:333.119
  • Monoisotopic Mass:333.119
  • Complexity:552
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:45.6A^2
  • Heavy Atom Count:24
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:2
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB6IABAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFjBQAAAHgQAAAAADAzB2AQywYMAAAiI AqRSQACCAABlChAIiB0IZMgIIDLglZGEIQhggADIyYcYiICOgAAAAAAQAQAAAAAAACACAAAAAAAA AA==
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