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Home > Encyclopedia > 2-(allylsulfanyl)-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one

2-(allylsulfanyl)-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one

2-(allylsulfanyl)-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one structure

2-(allylsulfanyl)-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one 

structure
  • CAS No:

    351159-98-3

  • Formula:

    C21H22N2OS2

  • Chemical Name:

    2-(allylsulfanyl)-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one

  • Synonyms:

    2-(allylsulfanyl)-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one;Oprea1_764406;ZINC2066421;STK831013;AKOS001637437;MCULE-8216371552;AE-848/15341014;SR-01000465228;SR-01000465228-1;2-(allylthio)-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one

2-(allylsulfanyl)-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one Basic Attributes

382.54218

382.117

Characteristics

86.2

6.2

Computed Properties

Molecular Weight:382.5
XLogP3:6.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:382.11735568
Monoisotopic Mass:382.11735568
Topological Polar Surface Area:86.2
Heavy Atom Count:26
Complexity:570
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 2-(allylsulfanyl)-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one

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