ethyl 6-amino-5,7,7-tricyano-8-[2-(trifluoromethyl)phenyl]-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
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ethyl 6-amino-5,7,7-tricyano-8-[2-(trifluoromethyl)phenyl]-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
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CAS No:
339580-83-5
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Formula:
C22H18F3N5O2
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Chemical Name:
ethyl 6-amino-5,7,7-tricyano-8-[2-(trifluoromethyl)phenyl]-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
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Synonyms:
ethyl 6-amino-5,7,7-tricyano-8-[2-(trifluoromethyl)phenyl]-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate;ChemDiv1_021630;HMS648H04;STK748643;AKOS000668059;AKOS024306286;MCULE-8933940952;AG-205/11317159;ethyl 6-amino-5,7,7-tricyano-8-[2-(trifluoromethyl)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
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CAS No:
ethyl 6-amino-5,7,7-tricyano-8-[2-(trifluoromethyl)phenyl]-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate Basic Attributes
441.4058296
441.141
Computed Properties
Molecular Weight:441.4
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:441.14125932
Monoisotopic Mass:441.14125932
Topological Polar Surface Area:127
Heavy Atom Count:32
Complexity:987
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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