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Home > Encyclopedia > ethyl 6-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate

ethyl 6-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate

ethyl 6-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate structure

ethyl 6-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate 

structure
  • CAS No:

    313379-45-2

  • Formula:

    C26H30N2O3S2

  • Chemical Name:

    ethyl 6-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate

  • Synonyms:

    ChemDiv1_002373;Oprea1_133812;Oprea1_628190;HMS593L19;RSC000095;STL324641;AKOS000675567;AKOS016349152;MCULE-4884859704;ST070409

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

Characteristics

133

5.2

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

Guide of ethyl 6-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate

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