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Home > Encyclopedia > tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3-methoxy-4-propoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate

tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3-methoxy-4-propoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate

tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3-methoxy-4-propoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate structure

tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3-methoxy-4-propoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate 

structure
  • CAS No:

    1212268-48-8

  • Formula:

    C27H31N5O4

  • Chemical Name:

    tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3-methoxy-4-propoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate

  • Synonyms:

    ZINC1818750;STK541992;AKOS003681035;MCULE-2162099815;1212268-48-8;tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3-methoxy-4-propoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate

tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3-methoxy-4-propoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Basic Attributes

489.6 g/mol

489.23760449 g/mol

Characteristics

145 Ų

Computed Properties

Molecular Weight:489.6
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:489.23760449
Monoisotopic Mass:489.23760449
Topological Polar Surface Area:145
Heavy Atom Count:36
Complexity:1060
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3-methoxy-4-propoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate

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