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Home> Encyclopedia > Hot Product Listed 5   > 5-Thiazoleacetic acid,4-(4-chlorophenyl)-2-(phenylamino)-
365542-63-8 structure

5-Thiazoleacetic acid,4-(4-chlorophenyl)-2-(phenylamino)-

Iupac Name:methyl 2-methoxy-6-[(E)-2-(4-phenyl-1,2,4-triazol-3-yl)ethenyl]benzoate
CAS No.:365542-63-8
Molecular Weight:335.35658
Molecular Formula:C34H56O12SN2 (isomer)
Names and Identifiers
Synonyms

[4-(4-chlorophenyl)-2-(phenylamino)-1,3-thiazol-5-yl]acetic acid [4-(4-chloro-phenyl)-2-phenylamino-thiazol-5-yl]-acetic acid 2-(4-(4-chlorophenyl)-2-(phenylamino)thiazol-5-yl)acetic acid 2-(phenylamino)-4-(4-chlorophenyl)thiazole-5-acetic acid 2-[2-anilino-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid 5-thiazoleacetic acid, 4-(4-chlorophenyl)-2-(phenylamino)- AC1L4FPE AC1Q3SET AKOS000594108 AR-1A8986 BAS 03087977 bdbm50309259 BG01057890 CHEBI:698941 chembl591519 CTK4J1672 DTXSID10198043 HE274267 HMS2656K13 KST-1A5813 MLS000703433 MolPort-001-988-320 NCGC00245350-01 OPREA1_797041 SCHEMBL11852874 smr000273897 ZINC4636253

Inchi
InChI=1S/C19H17N3O3/c1-24-16-10-6-7-14(18(16)19(23)25-2)11-12-17-21-20-13-22(17)15-8-4-3-5-9-15/h3-13H,1-2H3/b12-11+
InChkey
JBGQGUUMJYSWFJ-VAWYXSNFSA-N
Canonical Smiles
COC1=CC=CC(=C1C(=O)OC)C=CC2=NN=CN2C3=CC=CC=C3
Properties
Density
1.24
Refractive Index
1.596
Flash Point
248.4°C
Computational chemical data
  • Molecular Weight:335.35658g/mol
  • Molecular Formula:C34H56O12SN2
  • Compound Is Canonicalized:True
  • Exact Mass:335.127
  • Monoisotopic Mass:335.127
  • Complexity:465
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:66.2A^2
  • Heavy Atom Count:25
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgAIAAAADAyBmwY33ocMFACq AibzbACSiCs1oqAdyAEebNiMLzbEvZuEMWhl6BPI6SeYyLCOgAABAAAYAAAAAAIAADAAAAAAAAAA AA==
 
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