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2-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]ethyl 2-[[7-(trifluoromethylsulfanyl)quinolin-4-yl]amino]benzoate,dihydrochloride

2-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]ethyl 2-[[7-(trifluoromethylsulfanyl)quinolin-4-yl]amino]benzoate,dihydrochloride structure

CAS No:
69847-93-4
Formula:
C30H28Cl2F6N4O2S2
Chemical Name:
2-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]ethyl 2-[[7-(trifluoromethylsulfanyl)quinolin-4-yl]amino]benzoate,dihydrochloride
Synonyms:
Piperazineethanol,4-(3-trifluoromethylthio)phenyl-,N-(7-trifluoromethylthio-4-quinolyl)anthranilate,dihydrochloride; 2-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]ethyl 2-[[7-(trifluoromethylsulfanyl)quinolin-4-yl]amino]benzoate dihydrochloride;

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2-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]ethyl 2-[[7-(trifluoromethylsulfanyl)quinolin-4-yl]amino]benzoate,dihydrochloride Basic Attributes

Molecular Weight：

725.59500

Exact Mass：

724.0934929

DSSTox ID：

DTXSID60220146

Characteristics

PSA：

108.30000

XLogP3：

9.86110

Boiling Point：

631.4ºC

Flash Point：

335.7ºC

Computed Properties

Molecular Weight:725.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:10
Exact Mass:724.0934929
Monoisotopic Mass:724.0934929
Topological Polar Surface Area:108
Heavy Atom Count:46
Complexity:923
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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Guide of 2-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]ethyl 2-[[7-(trifluoromethylsulfanyl)quinolin-4-yl]amino]benzoate,dihydrochloride

Basic Attributes
Characteristics
Computed Properties
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