ethyl 6-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate
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ethyl 6-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate
structure -
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CAS No:
313379-45-2
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Formula:
C26H30N2O3S2
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Chemical Name:
ethyl 6-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate
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Synonyms:
ChemDiv1_002373;Oprea1_133812;Oprea1_628190;HMS593L19;RSC000095;STL324641;AKOS000675567;AKOS016349152;MCULE-4884859704;ST070409
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CAS No:
ethyl 6-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate Basic Attributes
482.658
482.17
Computed Properties
Molecular Weight:482.7
XLogP3:5.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:482.16978517
Monoisotopic Mass:482.16978517
Topological Polar Surface Area:133
Heavy Atom Count:33
Complexity:919
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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