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Home > Encyclopedia > methyl 2-[[7-(4-methylphenyl)-8-oxo-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]acetate

methyl 2-[[7-(4-methylphenyl)-8-oxo-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]acetate

methyl 2-[[7-(4-methylphenyl)-8-oxo-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]acetate structure

methyl 2-[[7-(4-methylphenyl)-8-oxo-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]acetate 

structure
  • CAS No:

    372085-25-1

  • Formula:

    C21H20N4O3S2

  • Chemical Name:

    methyl 2-[[7-(4-methylphenyl)-8-oxo-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]acetate

  • Synonyms:

    ZINC2272348;STK699034;AKOS005521640;MCULE-1029952712;372085-25-1;methyl {[4-(4-methylphenyl)-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetate

methyl 2-[[7-(4-methylphenyl)-8-oxo-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]acetate Basic Attributes

440.5 g/mol

440.09768286 g/mol

Characteristics

131 Ų

Computed Properties

Molecular Weight:440.5
XLogP3:4.4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:440.09768286
Monoisotopic Mass:440.09768286
Topological Polar Surface Area:131
Heavy Atom Count:30
Complexity:675
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl 2-[[7-(4-methylphenyl)-8-oxo-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]acetate

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