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

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

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

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

structure
  • CAS No:

    354555-11-6

  • Formula:

    C30H35N3O5S

  • Chemical Name:

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

  • Synonyms:

    Oprea1_002302;AM-807/13612025;STL332675;AKOS003683490;MCULE-2140139412;ST51023068;ethyl 5-cyano-4-[4-(methoxycarbonyl)phenyl]-2-methyl-6-{[2-oxo-2-(tricyclo[3.3.1.1~3,7~]dec-1-ylamino)ethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate;ethyl 6-{[2-(1-adamantylamino)-2-oxoethyl]sulfanyl}-5-cyano-4-[4-(methoxycarbonyl)phenyl]-2-methyl-1,4-dihydro-3-pyridinecarboxylate;methyl 4-{2-[(N-adamantanylcarbamoyl)methylthio]-3-cyano-5-(ethoxycarbonyl)-6- methyl-4-1,4-dihydropyridyl}benzoate

ethyl 6-{[2-(1-adamantylamino)-2-oxoethyl]sulfanyl}-5-cyano-4-[4-(methoxycarbonyl)phenyl]-2-methyl-1,4-dihydro-3-pyridinecarboxylate Basic Attributes

549.681

549.23

Characteristics

143

5

Computed Properties

Molecular Weight:549.7
XLogP3:5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:10
Exact Mass:549.22974240
Monoisotopic Mass:549.22974240
Topological Polar Surface Area:143
Heavy Atom Count:39
Complexity:1090
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

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