benzyl 2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetate
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![benzyl 2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d14a46dd64e04e3984cb7db611c516d1.png "benzyl 2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetate")
benzyl 2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetate
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CAS No:
332174-94-4
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Formula:
C25H22N2O2S
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Chemical Name:
benzyl 2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetate
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Synonyms:
Oprea1_043203;Oprea1_247287;ZINC2066770;STL352973;AKOS022133550;MCULE-5890077860;benzyl [(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetate;benzyl 2-(4-cyano-1-phenyl-5,6,7,8-tetrahydro-isoquinolin-3-ylsulfanyl)acetate;332174-94-4
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CAS No:
benzyl 2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetate Basic Attributes
414.5 g/mol
414.14019912 g/mol
Computed Properties
Molecular Weight:414.5
XLogP3:5.9
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:414.14019912
Monoisotopic Mass:414.14019912
Topological Polar Surface Area:88.3
Heavy Atom Count:30
Complexity:606
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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