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

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

CAS No:
494792-76-6
Formula:
C27H25N5O2
Chemical Name:
6-amino-2-benzyl-8-(2,5-dimethoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
Synonyms:
6-amino-2-benzyl-8-(2,5-dimethoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile;AM-807/14146085;RSC005925;STK542486;ZINC19852569;AKOS003681373;MCULE-2444764684;(8R,8aR)-6-amino-2-benzyl-8-(2,5-dimethoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile

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

Molecular Weight：

451.5197

Exact Mass：

451.201

Characteristics

PSA：

119

XLogP3：

2.5

Computed Properties

Molecular Weight:451.5
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:451.20082506
Monoisotopic Mass:451.20082506
Topological Polar Surface Area:119
Heavy Atom Count:34
Complexity:966
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-(2,5-dimethoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile

Basic Attributes
Characteristics
Computed Properties

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