ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3,4,5-trimethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
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ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3,4,5-trimethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
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CAS No:
459154-31-5
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Formula:
C24H25N5O5
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Chemical Name:
ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3,4,5-trimethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
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Synonyms:
AK-777/11656229;ZINC8411320;RSC005939;STK539911;AKOS003680513;MCULE-5233231531;459154-31-5;ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3,4,5-trimethoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate;ethyl 6-amino-5,7,7-tricyano-8-(3,4,5-trimethoxyphenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
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CAS No:
ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3,4,5-trimethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Basic Attributes
463.5 g/mol
463.18556891 g/mol
Computed Properties
Molecular Weight:463.5
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:463.18556891
Monoisotopic Mass:463.18556891
Topological Polar Surface Area:155
Heavy Atom Count:34
Complexity:994
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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