benzyl 6-amino-8-(4-tert-butylphenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
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benzyl 6-amino-8-(4-tert-butylphenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
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CAS No:
494792-88-0
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Formula:
C30H29N5O2
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Chemical Name:
benzyl 6-amino-8-(4-tert-butylphenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
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Synonyms:
AM-807/14146107;ZINC1261450;RSC005913;STK544513;AKOS003681061;MCULE-5532138635;494792-88-0;benzyl (8S,8aR)-6-amino-8-(4-tert-butylphenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate;benzyl 6-amino-8-(4-tert-butylphenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
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CAS No:
benzyl 6-amino-8-(4-tert-butylphenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate Basic Attributes
491.58356
491.232
Computed Properties
Molecular Weight:491.6
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:491.23212518
Monoisotopic Mass:491.23212518
Topological Polar Surface Area:127
Heavy Atom Count:37
Complexity:1090
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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