 Home > Encyclopedia > 2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]ethyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate,dihydrochloride

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

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

CAS No:
55905-93-6
Formula:
C30H28Cl2F6N4O3
Chemical Name:
2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]ethyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate,dihydrochloride

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

Molecular Weight：

677.46500

Exact Mass：

676.1442651

DSSTox ID：

DTXSID20204503

Characteristics

PSA：

66.93000

XLogP3：

8.55470

Boiling Point：

647.8ºC

Flash Point：

345.6ºC

Computed Properties

Molecular Weight:677.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:9
Exact Mass:676.1442651
Monoisotopic Mass:676.1442651
Topological Polar Surface Area:66.9
Heavy Atom Count:45
Complexity:900
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties
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