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(8S,8aR)-2-acetyl-6-amino-8-(3-ethoxy-4-propoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile

(8S,8aR)-2-acetyl-6-amino-8-(3-ethoxy-4-propoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile structure

CAS No:
494792-16-4
Formula:
C25H27N5O3
Chemical Name:
(8S,8aR)-2-acetyl-6-amino-8-(3-ethoxy-4-propoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Synonyms:
2-acetyl-6-amino-8-(3-ethoxy-4-propoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile;ZINC1894287;RSC005894;STK544882;AKOS003681300;MCULE-6773116499;AM-807/12740145;(8S,8aR)-2-acetyl-6-amino-8-(3-ethoxy-4-propoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile;494792-16-4

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(8S,8aR)-2-acetyl-6-amino-8-(3-ethoxy-4-propoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Basic Attributes

Molecular Weight：

445.5 g/mol

Exact Mass：

445.21138974 g/mol

Characteristics

PSA：

136 Å²

Computed Properties

Molecular Weight:445.5
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:445.21138974
Monoisotopic Mass:445.21138974
Topological Polar Surface Area:136
Heavy Atom Count:33
Complexity:971
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: potassium sulfide; formula sulphur dioxide; n2o4 lewis structure; sodium acetate chemical formula; lithium phosphate formula; hexanol

Guide of (8S,8aR)-2-acetyl-6-amino-8-(3-ethoxy-4-propoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile

Basic Attributes
Characteristics
Computed Properties

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