6-amino-2-benzyl-8-(3-ethoxy-4-propoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
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6-amino-2-benzyl-8-(3-ethoxy-4-propoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
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CAS No:
459153-26-5
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Formula:
C30H31N5O2
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Chemical Name:
6-amino-2-benzyl-8-(3-ethoxy-4-propoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
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Synonyms:
6-amino-2-benzyl-8-(3-ethoxy-4-propoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile;AM-807/12740142;RSC005887;STK541154;ZINC19851789;AKOS003680662;MCULE-1981648223;(8S,8aR)-6-amino-2-benzyl-8-(3-ethoxy-4-propoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
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CAS No:
6-amino-2-benzyl-8-(3-ethoxy-4-propoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile Basic Attributes
493.59944
493.248
Computed Properties
Molecular Weight:493.6
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:493.24777525
Monoisotopic Mass:493.24777525
Topological Polar Surface Area:119
Heavy Atom Count:37
Complexity:1010
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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