benzyl (8R,8aR)-6-amino-8-(4-bromothiophen-2-yl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
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benzyl (8R,8aR)-6-amino-8-(4-bromothiophen-2-yl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
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CAS No:
459154-49-5
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Formula:
C24H18BrN5O2S
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Chemical Name:
benzyl (8R,8aR)-6-amino-8-(4-bromothiophen-2-yl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
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Synonyms:
C24H18BrN5O2S;ZINC1895901;STK538938;AKOS003681579;MCULE-8230946401;459154-49-5;benzyl (8R,8aR)-6-amino-8-(4-bromothiophen-2-yl)-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
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CAS No:
benzyl (8R,8aR)-6-amino-8-(4-bromothiophen-2-yl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Basic Attributes
520.4 g/mol
519.03646 g/mol
Computed Properties
Molecular Weight:520.4
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:519.03646
Monoisotopic Mass:519.03646
Topological Polar Surface Area:155
Heavy Atom Count:33
Complexity:1010
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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