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

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

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

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

structure
  • CAS No:

    494792-86-8

  • Formula:

    C26H19F2N5O2

  • Chemical Name:

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

  • Synonyms:

    AM-807/14146105;benzyl 6-amino-5,7,7-tricyano-8-(3,4-difluorophenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate;ZINC8442030;RSC006229;AKOS003681220;MCULE-9967332341;494792-86-8

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

471.4581664

471.151

Characteristics

127

2.7

Computed Properties

Molecular Weight:471.5
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:471.15068119
Monoisotopic Mass:471.15068119
Topological Polar Surface Area:127
Heavy Atom Count:35
Complexity:1050
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of benzyl 6-amino-5,7,7-tricyano-8-(3,4-difluorophenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate

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