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

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

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

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

structure
  • CAS No:

    459153-81-2

  • Formula:

    C22H21N5O2S

  • Chemical Name:

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

  • Synonyms:

    AK-777/11656161;ZINC1754250;STK539807;AKOS003681090;MCULE-2079330108;ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-[4-(methylsulfanyl)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate;ethyl 6-amino-5,7,7-tricyano-8-[4-(methylsulfanyl)phenyl]-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate

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

419.49944

419.142

Characteristics

152

1.8

Computed Properties

Molecular Weight:419.5
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:419.14159610
Monoisotopic Mass:419.14159610
Topological Polar Surface Area:152
Heavy Atom Count:30
Complexity:903
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

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