ethyl 6-amino-5,7,7-tricyano-8-[3-(methyloxy)-4-(pentyloxy)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
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ethyl 6-amino-5,7,7-tricyano-8-[3-(methyloxy)-4-(pentyloxy)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
structure -
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CAS No:
445265-59-8
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Formula:
C27H31N5O4
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Chemical Name:
ethyl 6-amino-5,7,7-tricyano-8-[3-(methyloxy)-4-(pentyloxy)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
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Synonyms:
AM-807/12427051;RSC005931;STK541632;AKOS003680975;MCULE-5765366664;ethyl 6-amino-5,7,7-tricyano-8-[3-(methyloxy)-4-(pentyloxy)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate;ethyl 6-amino-5,7,7-tricyano-8-[3-methoxy-4-(pentyloxy)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
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CAS No:
ethyl 6-amino-5,7,7-tricyano-8-[3-(methyloxy)-4-(pentyloxy)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate Basic Attributes
489.56614
489.238
Computed Properties
Molecular Weight:489.6
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:489.23760449
Monoisotopic Mass:489.23760449
Topological Polar Surface Area:145
Heavy Atom Count:36
Complexity:1020
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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