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2-acetyl-6-amino-8-(3,4-diethoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile

2-acetyl-6-amino-8-(3,4-diethoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile structure

CAS No:
494792-15-3
Formula:
C24H25N5O3
Chemical Name:
2-acetyl-6-amino-8-(3,4-diethoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
Synonyms:
2-acetyl-6-amino-8-(3,4-diethoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile;ZINC803679;RSC005895;STK544574;AKOS003681219;MCULE-7839535542;AM-807/12740144;(8S,8aR)-2-acetyl-6-amino-8-(3,4-diethoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile

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2-acetyl-6-amino-8-(3,4-diethoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile Basic Attributes

Molecular Weight：

431.487

Exact Mass：

431.196

Characteristics

PSA：

136

XLogP3：

1.2

Computed Properties

Molecular Weight:431.5
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:431.19573968
Monoisotopic Mass:431.19573968
Topological Polar Surface Area:136
Heavy Atom Count:32
Complexity:955
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-acetyl-6-amino-8-(3,4-diethoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile

Basic Attributes
Characteristics
Computed Properties

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