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6-amino-8-(4-tert-butylphenyl)-2-propyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile

6-amino-8-(4-tert-butylphenyl)-2-propyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile structure

CAS No:
459153-47-0
Formula:
C25H29N5
Chemical Name:
6-amino-8-(4-tert-butylphenyl)-2-propyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
Synonyms:
6-amino-8-(4-tert-butylphenyl)-2-propyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile;RSC005889;STK539386;ZINC19852552;AKOS003681715;MCULE-3348801596;AM-807/14146073;(8S,8aR)-6-amino-8-(4-tert-butylphenyl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile

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6-amino-8-(4-tert-butylphenyl)-2-propyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile Basic Attributes

Molecular Weight：

399.53126

Exact Mass：

399.242

Characteristics

PSA：

101

XLogP3：

3.7

Computed Properties

Molecular Weight:399.5
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:399.24229595
Monoisotopic Mass:399.24229595
Topological Polar Surface Area:101
Heavy Atom Count:30
Complexity:866
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-amino-8-(4-tert-butylphenyl)-2-propyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile

Basic Attributes
Characteristics
Computed Properties

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