benzyl 6-amino-5,7,7-tricyano-8-(4-methoxyphenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
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benzyl 6-amino-5,7,7-tricyano-8-(4-methoxyphenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
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CAS No:
303953-32-4
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Formula:
C27H23N5O3
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Chemical Name:
benzyl 6-amino-5,7,7-tricyano-8-(4-methoxyphenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
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Synonyms:
AM-807/12740352;RSC006809;STK030637;ZINC19851826;AKOS003681126;MCULE-2066041374;303953-32-4;benzyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate;benzyl 6-amino-5,7,7-tricyano-8-(4-methoxyphenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
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CAS No:
benzyl 6-amino-5,7,7-tricyano-8-(4-methoxyphenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate Basic Attributes
465.50322
465.18
Computed Properties
Molecular Weight:465.5
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:465.18008961
Monoisotopic Mass:465.18008961
Topological Polar Surface Area:136
Heavy Atom Count:35
Complexity:1020
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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