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6-amino-2-isopropyl-8-(3-methoxy-4-propoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile

6-amino-2-isopropyl-8-(3-methoxy-4-propoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile structure

CAS No:
494791-98-9
Formula:
C25H29N5O2
Chemical Name:
6-amino-2-isopropyl-8-(3-methoxy-4-propoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
Synonyms:
6-amino-2-isopropyl-8-(3-methoxy-4-propoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile;AM-807/12427079;STK539698;AKOS005470136;MCULE-5036938317;(8S)-6-amino-8-(3-methoxy-4-propoxyphenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile;494791-98-9

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6-amino-2-isopropyl-8-(3-methoxy-4-propoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile Basic Attributes

Molecular Weight：

431.53006

Exact Mass：

431.232

Characteristics

PSA：

119

XLogP3：

2.7

Computed Properties

Molecular Weight:431.5
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:431.23212518
Monoisotopic Mass:431.23212518
Topological Polar Surface Area:119
Heavy Atom Count:32
Complexity:908
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-amino-2-isopropyl-8-(3-methoxy-4-propoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile

Basic Attributes
Characteristics
Computed Properties

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