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

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

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

CAS No:
303142-20-3
Formula:
C21H18BrN5O2
Chemical Name:
ethyl 6-amino-8-(3-bromophenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
Synonyms:
AK-777/36505040;STK526271;AKOS005459758;MCULE-3379571938;8-(3-Bromophenyl)-3,7,8,8a-tetrahydro-5,7,7-tricyano-6-aminoisoquinoline-2(1H)-carboxylic acid ethyl ester;ethyl 6-amino-8-(3-bromophenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate;ethyl 6-amino-8-(3-bromophenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate

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

Molecular Weight：

452.30392

Exact Mass：

451.064

Characteristics

PSA：

127

XLogP3：

Melting Point：

265 - 267 °C (water)

Computed Properties

Molecular Weight:452.3
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:451.06439
Monoisotopic Mass:451.06439
Topological Polar Surface Area:127
Heavy Atom Count:29
Complexity:895
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 6-amino-8-(3-bromophenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate

Basic Attributes
Characteristics
Computed Properties
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