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

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

CAS No:
303966-72-5
Formula:
C23H25N5O2
Chemical Name:
6-amino-8-(3,4-diethoxyphenyl)-2-methyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
Synonyms:
6-amino-8-(3,4-diethoxyphenyl)-2-methyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile;STK029850;ZINC19851675;AKOS005381137;MCULE-8471908631;AM-807/12739006;(8S,8aR)-6-amino-8-(3,4-diethoxyphenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile;303966-72-5

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

Molecular Weight：

403.4769

Exact Mass：

403.201

Characteristics

PSA：

119

XLogP3：

1.8

Computed Properties

Molecular Weight:403.5
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:403.20082506
Monoisotopic Mass:403.20082506
Topological Polar Surface Area:119
Heavy Atom Count:30
Complexity:863
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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