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ethyl 2-[1-oxo-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]isoquinolin-5-yl]oxyacetate

ethyl 2-[1-oxo-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]isoquinolin-5-yl]oxyacetate structure

CAS No:
868224-16-2
Formula:
C22H19F3N2O5
Chemical Name:
ethyl 2-[1-oxo-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]isoquinolin-5-yl]oxyacetate
Synonyms:
868224-16-2;ethyl 2-((1-oxo-2-(2-oxo-2-((4-(trifluoromethyl)phenyl)amino)ethyl)-1,2-dihydroisoquinolin-5-yl)oxy)acetate;ethyl 2-{[1-oxo-2-({[4-(trifluoromethyl)phenyl]carbamoyl}methyl)-1,2-dihydroisoquinolin-5-yl]oxy}acetate;ZINC2712239;AKOS024610164;MCULE-1865276233;ethyl 2-[1-oxo-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]isoquinolin-5-yl]oxyacetate;AB00686551-01;F1808-0103

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ethyl 2-[1-oxo-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]isoquinolin-5-yl]oxyacetate Basic Attributes

Molecular Weight：

448.4 g/mol

Exact Mass：

448.12460620 g/mol

Characteristics

PSA：

84.9 Å²

Computed Properties

Molecular Weight:448.4
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:448.12460620
Monoisotopic Mass:448.12460620
Topological Polar Surface Area:84.9
Heavy Atom Count:32
Complexity:719
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 2-[1-oxo-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]isoquinolin-5-yl]oxyacetate

Basic Attributes
Characteristics
Computed Properties
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