ethyl 1-benzyl-6-bromo-5-hydroxy-2-(phenylsulfanylmethyl)indole-3-carboxylate
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ethyl 1-benzyl-6-bromo-5-hydroxy-2-(phenylsulfanylmethyl)indole-3-carboxylate
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CAS No:
116736-14-2
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Formula:
C25H22BrNO3S
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Chemical Name:
ethyl 1-benzyl-6-bromo-5-hydroxy-2-(phenylsulfanylmethyl)indole-3-carboxylate
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Synonyms:
Oprea1_141099;ZINC2202065;STK843523;AKOS001596300;MCULE-6739770877;ethyl 1-benzyl-6-bromo-5-hydroxy-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate;116736-14-2
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CAS No:
ethyl 1-benzyl-6-bromo-5-hydroxy-2-(phenylsulfanylmethyl)indole-3-carboxylate Basic Attributes
496.4 g/mol
495.05038 g/mol
Computed Properties
Molecular Weight:496.4
XLogP3:6.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:495.05038
Monoisotopic Mass:495.05038
Topological Polar Surface Area:76.8
Heavy Atom Count:31
Complexity:581
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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