 Home > Encyclopedia > ethyl 6-amino-5,7,7-tricyano-8-(4-ethylphenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate

ethyl 6-amino-5,7,7-tricyano-8-(4-ethylphenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate

ethyl 6-amino-5,7,7-tricyano-8-(4-ethylphenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate structure

CAS No:
488783-73-9
Formula:
C23H23N5O2
Chemical Name:
ethyl 6-amino-5,7,7-tricyano-8-(4-ethylphenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
Synonyms:
RSC002416;STK538732;AKOS003681377;MCULE-9336248460;AK-777/11656234;ethyl (8S)-6-amino-5,7,7-tricyano-8-(4-ethylphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate;ethyl 6-amino-5,7,7-tricyano-8-(4-ethylphenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate

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ethyl 6-amino-5,7,7-tricyano-8-(4-ethylphenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate Basic Attributes

Molecular Weight：

401.46102

Exact Mass：

401.185

Characteristics

PSA：

127

XLogP3：

2.1

Computed Properties

Molecular Weight:401.5
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:401.18517499
Monoisotopic Mass:401.18517499
Topological Polar Surface Area:127
Heavy Atom Count:30
Complexity:897
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 ethyl 6-amino-5,7,7-tricyano-8-(4-ethylphenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate

Basic Attributes
Characteristics
Computed Properties
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