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Home > Encyclopedia > 2-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]ethyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate

2-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]ethyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate

2-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]ethyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate structure

2-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]ethyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate 

structure
  • CAS No:

    55300-50-0

  • Formula:

    C30H26F6N4O2S

  • Chemical Name:

    2-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]ethyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate

  • Synonyms:

    2-(4-m-trifluoromethylthiophenyl-piperazino)-ethyl-2-(8-trifluoromethyl-4-quinolyl-amino)-benzoate; 2-(8-trifluoromethyl-quinolin-4-ylamino)-benzoic acid 2-[4-(3-trifluoromethylsulfanyl-phenyl)-piperazin-1-yl]-ethyl ester; Benzoic acid,2-((8-(trifluoromethyl)-4-quinolinyl)amino)-,2-(4-(3-((trifluoromethyl)thio)phenyl)-1-piperazinyl)ethyl ester;

2-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]ethyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate Basic Attributes

620.60800

620.16806623

DTXSID30203845

Characteristics

83.00000

7.66400

1.44g/cm3

638.3ºC

339.8ºC

1.633

Computed Properties

Molecular Weight:620.6
XLogP3:8.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:9
Exact Mass:620.16806623
Monoisotopic Mass:620.16806623
Topological Polar Surface Area:83
Heavy Atom Count:43
Complexity:903
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 2-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]ethyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate

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