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Home> Encyclopedia > Hot Product Listed 5   > 5-Thiazoleacetic acid,4-(4-chlorophenyl)-2-[[[2-(dimethylamino)phenyl]sulfomethyl]amino]-, 5-methyle...
478040-11-8 structure

5-Thiazoleacetic acid,4-(4-chlorophenyl)-2-[[[2-(dimethylamino)phenyl]sulfomethyl]amino]-, 5-methylester

Iupac Name:3-(3-chloro-4-methoxyanilino)-1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-en-1-one
CAS No.:478040-11-8
Molecular Weight:462.751
Molecular Formula:C42H41N3O18S2 (isomer)
Names and Identifiers
Synonyms

5-Thiazoleaceticacid, 4-(4-chlorophenyl)-2-[[[2-(dimethylamino)phenyl]sulfomethyl]amino]-, a-methyl ester (9CI)

Inchi
InChI=1S/C23H18Cl3NO3/c1-29-23-8-7-18(13-21(23)26)27-10-9-22(28)15-3-2-4-19(11-15)30-14-16-5-6-17(24)12-20(16)25/h2-13,27H,14H2,1H3
InChkey
MWNMZAJAWUXKNG-UHFFFAOYSA-N
Canonical Smiles
COC1=C(C=C(C=C1)NC=CC(=O)C2=CC(=CC=C2)OCC3=C(C=C(C=C3)Cl)Cl)Cl
Properties
Density
1.16
Boiling Point
278.3°Cat760mmHg
Computational chemical data
  • Molecular Weight:462.751g/mol
  • Molecular Formula:C42H41N3O18S2
  • Compound Is Canonicalized:True
  • Exact Mass:461.035
  • Monoisotopic Mass:461.035
  • Complexity:576
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Heavy Atom Count:30
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:1
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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