benzyl 6-amino-5,7,7-tricyano-8-(2,6-dichlorophenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
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benzyl 6-amino-5,7,7-tricyano-8-(2,6-dichlorophenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
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CAS No:
413576-61-1
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Formula:
C26H19Cl2N5O2
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Chemical Name:
benzyl 6-amino-5,7,7-tricyano-8-(2,6-dichlorophenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
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Synonyms:
AM-807/13104370;ZINC8441980;RSC007593;STK543867;AKOS003681458;MCULE-2452471802;ST51023010;413576-61-1;benzyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2,6-dichlorophenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate;benzyl 6-amino-5,7,7-tricyano-8-(2,6-dichlorophenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
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CAS No:
benzyl 6-amino-5,7,7-tricyano-8-(2,6-dichlorophenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate Basic Attributes
504.36736
503.092
Computed Properties
Molecular Weight:504.4
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:503.0915803
Monoisotopic Mass:503.0915803
Topological Polar Surface Area:127
Heavy Atom Count:35
Complexity:1040
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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