2-(ethylsulfanyl)ethyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
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2-(ethylsulfanyl)ethyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
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CAS No:
332928-85-5
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Formula:
C30H35NO5S
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Chemical Name:
2-(ethylsulfanyl)ethyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
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Synonyms:
AKOS000537417;MCULE-3730438487;ST50010912;AG-690/40750563;2-(ethylsulfanyl)ethyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate;2-(Ethylthio)ethyl 7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4-(p-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate;2-ethylthioethyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methylphenyl)-5-oxo-1,4 ,6,7,8-pentahydroquinoline-3-carboxylate;7-(3,4-Dimethoxy-phenyl)-2-methyl-5-oxo-4-p-tolyl-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid 2-ethylsulfanyl-ethyl ester
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CAS No:
2-(ethylsulfanyl)ethyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate Basic Attributes
521.6676
521.224
Computed Properties
Molecular Weight:521.7
XLogP3:5.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:521.22359439
Monoisotopic Mass:521.22359439
Topological Polar Surface Area:99.2
Heavy Atom Count:37
Complexity:890
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-(ethylsulfanyl)ethyl 7-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
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