3-[3-[4-chloro-2-(dimethylcarbamoyl)phenyl]-1-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]propyl]sulfanylpropanoic acid
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![3-[3-[4-chloro-2-(dimethylcarbamoyl)phenyl]-1-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]propyl]sulfanylpropanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ccef38387d254c74b51b529b77b159b2.png "3-[3-[4-chloro-2-(dimethylcarbamoyl)phenyl]-1-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]propyl]sulfanylpropanoic acid")
3-[3-[4-chloro-2-(dimethylcarbamoyl)phenyl]-1-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]propyl]sulfanylpropanoic acid
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CAS No:
133768-71-5
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Formula:
C31H30Cl2N2O4S
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Chemical Name:
3-[3-[4-chloro-2-(dimethylcarbamoyl)phenyl]-1-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]propyl]sulfanylpropanoic acid
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Synonyms:
3-(((3-(7-chloro-2-quinolinyl)methoxyphenyl)(2-(4-chloro-2-dimethylcarbamoylphenyl)ethyl)methyl)thio)propanoic acid;L 686741;L 686741, (+)-isomer;L 686741, (-)-isomer;L-686,741;L-686741;L 686741;133768-71-5;3-((3-(4-chloro-2-(dimethylcarbamoyl)phenyl)-1-(3-((7-chloroquinolin-2-yl)methoxy)phenyl)propyl)thio)propanoic acid;L-686741;L-686,741;SCHEMBL9206384;DTXSID50928265;3-(((3-(7-Chloro-2-quinolinyl)methoxyphenyl)(2-(4-chloro-2-dimethylcarbamoylphenyl)ethyl)methyl)thio)propanoic acid;3-((3-(4-Chloro-2-((dimethylamino)carbonyl)phenyl)-1-(3-((7-chloro-2-quinolinyl)methoxy)phenyl)propyl)thio)propanoic acid;3-[3-[4-chloro-2-(dimethylcarbamoyl)phenyl]-1-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]propyl]sulfanylpropanoic acid;3-[(3-[4-Chloro-2-(dimethylcarbamoyl)phenyl]-1-{3-[(7-chloroquinolin-2-yl)methoxy]phenyl}propyl)sulfanyl]propanoic acid;Propanoic acid, 3-((3-(4-chloro-2-((dimethylamino)carbonyl)phenyl)-1-(3-((7-chloro-2-quinolinyl)methoxy)phenyl)propyl)thio)-
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CAS No:
3-[3-[4-chloro-2-(dimethylcarbamoyl)phenyl]-1-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]propyl]sulfanylpropanoic acid Basic Attributes
597.5 g/mol
596.1303340 g/mol
Drug Information
3-(((3-(7-chloro-2-quinolinyl)methoxyphenyl)(2-(4-chloro-2-dimethylcarbamoylphenyl)ethyl)methyl)thio)propanoic acid
Computed Properties
Molecular Weight:597.5
XLogP3:6.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:12
Exact Mass:596.1303340
Monoisotopic Mass:596.1303340
Topological Polar Surface Area:105
Heavy Atom Count:40
Complexity:820
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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