methyl 2-[1-oxo-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]isoquinolin-5-yl]oxyacetate
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methyl 2-[1-oxo-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]isoquinolin-5-yl]oxyacetate
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CAS No:
868225-19-8
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Formula:
C21H17F3N2O5
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Chemical Name:
methyl 2-[1-oxo-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]isoquinolin-5-yl]oxyacetate
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Synonyms:
868225-19-8;methyl 2-((1-oxo-2-(2-oxo-2-((4-(trifluoromethyl)phenyl)amino)ethyl)-1,2-dihydroisoquinolin-5-yl)oxy)acetate;methyl 2-{[1-oxo-2-({[4-(trifluoromethyl)phenyl]carbamoyl}methyl)-1,2-dihydroisoquinolin-5-yl]oxy}acetate;ZINC2712404;AKOS024610264;MCULE-7945074817;methyl 2-[1-oxo-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]isoquinolin-5-yl]oxyacetate;SR-01000015697;SR-01000015697-1;F1808-0223
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CAS No:
methyl 2-[1-oxo-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]isoquinolin-5-yl]oxyacetate Basic Attributes
434.4 g/mol
434.10895613 g/mol
Computed Properties
Molecular Weight:434.4
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:434.10895613
Monoisotopic Mass:434.10895613
Topological Polar Surface Area:84.9
Heavy Atom Count:31
Complexity:704
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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