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6-amino-2-benzyl-8-(5-bromo-2-fluorophenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile

6-amino-2-benzyl-8-(5-bromo-2-fluorophenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile structure

CAS No:
351449-32-6
Formula:
C25H19BrFN5
Chemical Name:
6-amino-2-benzyl-8-(5-bromo-2-fluorophenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
Synonyms:
6-amino-2-benzyl-8-(5-bromo-2-fluorophenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile;AK-777/11656159;ZINC8411315;RSC007103;STK700611;AKOS003679347;MCULE-3235968947;ST51061949;(8R,8aR)-6-amino-2-benzyl-8-(5-bromo-2-fluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile;(8R,8aR)-6-amino-8-(5-bromo-2-fluorophenyl)-2-benzyl-1,2,3,7,8,8a-hexahydroiso quinoline-5,7,7-tricarbonitrile

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6-amino-2-benzyl-8-(5-bromo-2-fluorophenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile Basic Attributes

Molecular Weight：

488.3542632

Exact Mass：

487.081

Characteristics

PSA：

101

XLogP3：

3.4

Computed Properties

Molecular Weight:488.4
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:487.08079
Monoisotopic Mass:487.08079
Topological Polar Surface Area:101
Heavy Atom Count:32
Complexity:937
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-amino-2-benzyl-8-(5-bromo-2-fluorophenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile

Basic Attributes
Characteristics
Computed Properties

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