tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3-ethoxy-4-propoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
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tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3-ethoxy-4-propoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
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CAS No:
459783-73-4
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Formula:
C28H33N5O4
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Chemical Name:
tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3-ethoxy-4-propoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
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Synonyms:
AM-807/12740062;ZINC1825882;RSC005977;STK539580;AKOS003684336;MCULE-4979848788;459783-73-4;tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3-ethoxy-4-propoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate;tert-butyl 6-amino-5,7,7-tricyano-8-(3-ethoxy-4-propoxyphenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
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CAS No:
tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3-ethoxy-4-propoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Basic Attributes
503.6 g/mol
503.25325455 g/mol
Computed Properties
Molecular Weight:503.6
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:503.25325455
Monoisotopic Mass:503.25325455
Topological Polar Surface Area:145
Heavy Atom Count:37
Complexity:1080
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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