allyl 6-{[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate
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allyl 6-{[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate
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CAS No:
370854-91-4
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Formula:
C25H24ClN3O5S2
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Chemical Name:
allyl 6-{[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate
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Synonyms:
ChemDiv1_028740;Oprea1_415359;Oprea1_530232;AE-848/40938207;C25H24ClN3O5S2;HMS668K08;STK538648;AKOS001644709;MCULE-3944298142;SR-01000484814
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CAS No:
allyl 6-{[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate Basic Attributes
546.05816
545.085
Computed Properties
Molecular Weight:546.1
XLogP3:4.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:11
Exact Mass:545.0845909
Monoisotopic Mass:545.0845909
Topological Polar Surface Area:163
Heavy Atom Count:36
Complexity:963
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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