benzyl 6-amino-8-(4-chlorophenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
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benzyl 6-amino-8-(4-chlorophenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
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CAS No:
304012-91-7
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Formula:
C26H20ClN5O2
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Chemical Name:
benzyl 6-amino-8-(4-chlorophenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
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Synonyms:
AM-807/12740355;ZINC8441911;RSC006783;AKOS003681214;MCULE-6845901632;304012-91-7;benzyl 6-amino-8-(4-chlorophenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
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CAS No:
benzyl 6-amino-8-(4-chlorophenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate Basic Attributes
469.9223
469.131
Computed Properties
Molecular Weight:469.9
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:469.1305526
Monoisotopic Mass:469.1305526
Topological Polar Surface Area:127
Heavy Atom Count:34
Complexity:1010
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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