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Home > Encyclopedia > 5-(3-methylbutylsulfanyl)-4-(4-methylphenyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one

5-(3-methylbutylsulfanyl)-4-(4-methylphenyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one

5-(3-methylbutylsulfanyl)-4-(4-methylphenyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one structure

5-(3-methylbutylsulfanyl)-4-(4-methylphenyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one 

structure
  • CAS No:

    4604-71-1

  • Formula:

    C23H28N2OS2

  • Chemical Name:

    5-(3-methylbutylsulfanyl)-4-(4-methylphenyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one

  • Synonyms:

    2-(isopentylsulfanyl)-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one;4604-71-1;ZINC02271737;Oprea1_087852;DTXSID30365492;ZINC2271737;STK831017;AKOS001637373;MCULE-3759246019;AJ-292/15367047;SR-01000465216;SR-01000465216-1;2-[(3-methylbutyl)sulfanyl]-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one;2-[(3-methylbutyl)thio]-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one;351161-46-1

5-(3-methylbutylsulfanyl)-4-(4-methylphenyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one Basic Attributes

412.6 g/mol

412.16430587 g/mol

DTXSID30365492

Characteristics

86.2 Ų

Computed Properties

Molecular Weight:412.6
XLogP3:7.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:412.16430587
Monoisotopic Mass:412.16430587
Topological Polar Surface Area:86.2
Heavy Atom Count:28
Complexity:585
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 5-(3-methylbutylsulfanyl)-4-(4-methylphenyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one

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