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Home > Encyclopedia > methyl 2-[2,5-dimethyl-3-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]benzoate

methyl 2-[2,5-dimethyl-3-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]benzoate

methyl 2-[2,5-dimethyl-3-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]benzoate structure

methyl 2-[2,5-dimethyl-3-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]benzoate 

structure
  • CAS No:

    676604-55-0

  • Formula:

    C20H19N3O5

  • Chemical Name:

    methyl 2-[2,5-dimethyl-3-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]benzoate

  • Synonyms:

    ZINC9090025;STK169438;STK574376;AKOS003257336;AKOS005499118;ST50905363;(E)-methyl 2-(2,5-dimethyl-3-((1-methyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-pyrrol-1-yl)benzoate;676604-55-0;methyl 2-{2,5-dimethyl-3-[(1-methyl-2,4,6-trioxo(1,3-dihydropyrimidin-5-yliden e))methyl]pyrrolyl}benzoate;methyl 2-{2,5-dimethyl-3-[(E)-(1-methyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}benzoate;methyl 2-{3-[(E)-(4-hydroxy-1-methyl-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate

methyl 2-[2,5-dimethyl-3-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]benzoate Basic Attributes

381.4 g/mol

381.13247072 g/mol

Characteristics

97.7 Ų

Computed Properties

Molecular Weight:381.4
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:381.13247072
Monoisotopic Mass:381.13247072
Topological Polar Surface Area:97.7
Heavy Atom Count:28
Complexity:719
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl 2-[2,5-dimethyl-3-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]benzoate

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