3,3'-[[[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]methylene]bis(thio)]bis-propanoic Acid 1,1'-Dimethyl Ester
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3,3'-[[[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]methylene]bis(thio)]bis-propanoic Acid 1,1'-Dimethyl Ester
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CAS No:
120385-96-8
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Formula:
C26H26ClNO4S2
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Chemical Name:
3,3'-[[[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]methylene]bis(thio)]bis-propanoic Acid 1,1'-Dimethyl Ester
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Synonyms:
3,3"-[[[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]methylene]bis(thio)]bis-propanoic Acid 1,1"-Dimethyl Ester;(E)-dimethyl 3,3"-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)methylene)bis(sulfanediyl)dipropanoate;SCHEMBL9260443;ZINC34110271;3,3"-[3-[(E)-2-(7-Chloro-2-quinolinyl)ethenyl]benzylidenebis(thio)]bis(propionic acid methyl) ester;Methyl 3-[[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-(3-methoxy-3-oxopropyl)sulfanylmethyl]sulfanylpropanoate
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CAS No:
3,3'-[[[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]methylene]bis(thio)]bis-propanoic Acid 1,1'-Dimethyl Ester Basic Attributes
516.07194
515.099
3,3'-[[[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]methylene]bis(thio)]bis-propanoic Acid 1,1'-Dimethyl Ester Use and Manufacturing
Intermediate in the preparation of MK-571.
Computed Properties
Molecular Weight:516.1
XLogP3:6
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:13
Exact Mass:515.0991784
Monoisotopic Mass:515.0991784
Topological Polar Surface Area:116
Heavy Atom Count:34
Complexity:657
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3,3'-[[[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]methylene]bis(thio)]bis-propanoic Acid 1,1'-Dimethyl Ester
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