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

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

CAS No:
494792-13-1
Formula:
C26H31N5O2
Chemical Name:
6-amino-8-(3-ethoxy-4-propoxyphenyl)-2-isopropyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
Synonyms:
6-amino-8-(3-ethoxy-4-propoxyphenyl)-2-isopropyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile;AM-807/12740139;STK544799;ZINC19851779;AKOS005473902;MCULE-3616316873;(8S,8aR)-6-amino-8-(3-ethoxy-4-propoxyphenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile

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

Molecular Weight：

445.55664

Exact Mass：

445.248

Characteristics

PSA：

119

XLogP3：

3.1

Computed Properties

Molecular Weight:445.6
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:445.24777525
Monoisotopic Mass:445.24777525
Topological Polar Surface Area:119
Heavy Atom Count:33
Complexity:924
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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