(E)-3-[[[(2-Carboxyethyl)thio][3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]methyl]thio]propanoic Acid 1-Methyl Ester
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(E)-3-[[[(2-Carboxyethyl)thio][3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]methyl]thio]propanoic Acid 1-Methyl Ester
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CAS No:
131774-44-2
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Formula:
C25H24ClNO4S2
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Chemical Name:
(E)-3-[[[(2-Carboxyethyl)thio][3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]methyl]thio]propanoic Acid 1-Methyl Ester
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Synonyms:
(E)-3-[[[(2-Carboxyethyl)thio][3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]methyl]thio]propanoic Acid 1-Methyl Ester;3-(((3-(2-(7-Chloroquinolin-2-yl)vinyl)phenyl)((3-methoxy-3-oxopropyl)thio)methyl)thio)propanoic acid
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CAS No:
(E)-3-[[[(2-Carboxyethyl)thio][3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]methyl]thio]propanoic Acid 1-Methyl Ester Basic Attributes
502.04536
501.084
(E)-3-[[[(2-Carboxyethyl)thio][3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]methyl]thio]propanoic Acid 1-Methyl Ester Use and Manufacturing
Intermediate in the preparation of MK-571.
Computed Properties
Molecular Weight:502.0
XLogP3:5.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:12
Exact Mass:501.0835283
Monoisotopic Mass:501.0835283
Topological Polar Surface Area:127
Heavy Atom Count:33
Complexity:664
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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