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Home > Encyclopedia > methyl 2-[(1-hexyl-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl)methylideneamino]-4,5-dimethoxybenzoate

methyl 2-[(1-hexyl-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl)methylideneamino]-4,5-dimethoxybenzoate

methyl 2-[(1-hexyl-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl)methylideneamino]-4,5-dimethoxybenzoate structure

methyl 2-[(1-hexyl-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl)methylideneamino]-4,5-dimethoxybenzoate 

structure
  • CAS No:

    714927-55-6

  • Formula:

    C21H27N3O6S

  • Chemical Name:

    methyl 2-[(1-hexyl-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl)methylideneamino]-4,5-dimethoxybenzoate

  • Synonyms:

    ZINC9359901;STK570785;STL002808;AKOS005495945;AKOS032391105;MCULE-5227905522;714927-55-6;methyl 2-{[(E)-(1-hexyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]amino}-4,5-dimethoxybenzoate;methyl 2-{[(E)-(1-hexyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-4,5-dimethoxybenzoate

methyl 2-[(1-hexyl-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl)methylideneamino]-4,5-dimethoxybenzoate Basic Attributes

449.5 g/mol

449.16205676 g/mol

Characteristics

142 Ų

Computed Properties

Molecular Weight:449.5
XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:11
Exact Mass:449.16205676
Monoisotopic Mass:449.16205676
Topological Polar Surface Area:142
Heavy Atom Count:31
Complexity:726
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl 2-[(1-hexyl-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl)methylideneamino]-4,5-dimethoxybenzoate

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