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Home> Hot Product Listed 4   > 4-Thiazolidinone,5-[[(4-chlorophenyl)amino]methyl]-2-imino-3-[[[2-(4-methoxyphenyl)diazenyl]phenylme...
76849-19-9 structure

4-Thiazolidinone,5-[[(4-chlorophenyl)amino]methyl]-2-imino-3-[[[2-(4-methoxyphenyl)diazenyl]phenylmethylene]amino]-

Iupac Name:(2S)-2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid
CAS No.:76849-19-9
Molecular Weight:477.477
Molecular Formula:C17H23CL3N6OS (isomer)
Names and Identifiers
Synonyms

4-Thiazolidinone,5-[[(4-chlorophenyl)amino]methyl]-2-imino-3-[[[(4-methoxyphenyl)azo]phenylmethylene]amino]-(9CI)

Inchi
InChI=1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/t19-/m0/s1
InChkey
LTKHPMDRMUCUEB-IBGZPJMESA-N
Canonical Smiles
C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
Properties
Refractive Index
1.666
Flash Point
292.6°C
Safety and Handling
Safety Statements
A poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
Computational chemical data
  • Molecular Weight:477.477g/mol
  • Molecular Formula:C17H23CL3N6OS
  • Compound Is Canonicalized:True
  • Exact Mass:477.165
  • Monoisotopic Mass:477.165
  • Complexity:903
  • Rotatable Bond Count:10
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:7
  • Heavy Atom Count:35
  • Defined Atom Stereocenter Count:1
  • 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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