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Home > Encyclopedia > ethyl 6-amino-8-{2-[(4-chlorobenzyl)oxy]phenyl}-5,7,7-tricyano-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate

ethyl 6-amino-8-{2-[(4-chlorobenzyl)oxy]phenyl}-5,7,7-tricyano-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate

ethyl 6-amino-8-{2-[(4-chlorobenzyl)oxy]phenyl}-5,7,7-tricyano-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate structure

ethyl 6-amino-8-{2-[(4-chlorobenzyl)oxy]phenyl}-5,7,7-tricyano-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate 

structure
  • CAS No:

    488783-77-3

  • Formula:

    C28H24ClN5O3

  • Chemical Name:

    ethyl 6-amino-8-{2-[(4-chlorobenzyl)oxy]phenyl}-5,7,7-tricyano-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate

  • Synonyms:

    AK-777/12227122;ZINC8411425;RSC005901;STK542890;AKOS003680661;MCULE-3023330265;ethyl (8R,8aR)-6-amino-8-{2-[(4-chlorobenzyl)oxy]phenyl}-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate;ethyl 6-amino-8-{2-[(4-chlorobenzyl)oxy]phenyl}-5,7,7-tricyano-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate

ethyl 6-amino-8-{2-[(4-chlorobenzyl)oxy]phenyl}-5,7,7-tricyano-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate Basic Attributes

513.97486

513.157

Characteristics

136

3.4

Computed Properties

Molecular Weight:514.0
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:513.1567673
Monoisotopic Mass:513.1567673
Topological Polar Surface Area:136
Heavy Atom Count:37
Complexity:1080
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of ethyl 6-amino-8-{2-[(4-chlorobenzyl)oxy]phenyl}-5,7,7-tricyano-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate

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