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Home > Encyclopedia > 2-[2-bromo-4-[(E)-[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid

2-[2-bromo-4-[(E)-[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid

2-[2-bromo-4-[(E)-[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid structure

2-[2-bromo-4-[(E)-[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid 

structure
  • CAS No:

    5947-54-6

  • Formula:

    C20H15BrN2O5S

  • Chemical Name:

    2-[2-bromo-4-[(E)-[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid

  • Synonyms:

    (2-bromo-4-{(E)-[1-(4-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid;HMS595B12;ZINC2883632;STK197621;AKOS001488515;BIM-0038434.P001;5947-54-6

2-[2-bromo-4-[(E)-[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid Basic Attributes

475.3 g/mol

473.98851 g/mol

Characteristics

128 Ų

Computed Properties

Molecular Weight:475.3
XLogP3:3.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:473.98851
Monoisotopic Mass:473.98851
Topological Polar Surface Area:128
Heavy Atom Count:29
Complexity:720
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 2-[2-bromo-4-[(E)-[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid

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