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Home > Encyclopedia > methyl 2-[4-[N-(1,3-benzodioxol-5-ylmethyl)-C-methylcarbonimidoyl]-3-oxo-2-phenyl-1H-pyrazol-5-yl]acetate

methyl 2-[4-[N-(1,3-benzodioxol-5-ylmethyl)-C-methylcarbonimidoyl]-3-oxo-2-phenyl-1H-pyrazol-5-yl]acetate

methyl 2-[4-[N-(1,3-benzodioxol-5-ylmethyl)-C-methylcarbonimidoyl]-3-oxo-2-phenyl-1H-pyrazol-5-yl]acetate structure

methyl 2-[4-[N-(1,3-benzodioxol-5-ylmethyl)-C-methylcarbonimidoyl]-3-oxo-2-phenyl-1H-pyrazol-5-yl]acetate 

structure
  • CAS No:

    727370-91-4

  • Formula:

    C22H21N3O5

  • Chemical Name:

    methyl 2-[4-[N-(1,3-benzodioxol-5-ylmethyl)-C-methylcarbonimidoyl]-3-oxo-2-phenyl-1H-pyrazol-5-yl]acetate

  • Synonyms:

    methyl [(4Z)-4-{1-[(1,3-benzodioxol-5-ylmethyl)amino]ethylidene}-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]acetate;methyl ((4Z)-4-{1-[(1,3-benzodioxol-5-ylmethyl)amino]ethylidene}-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetate;STK261763;ZINC18141197;AKOS002305852;MCULE-4202703452;MCULE-9114898459;(Z)-methyl 2-(4-(1-((benzo[d][1,3]dioxol-5-ylmethyl)amino)ethylidene)-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetate;727370-91-4

methyl 2-[4-[N-(1,3-benzodioxol-5-ylmethyl)-C-methylcarbonimidoyl]-3-oxo-2-phenyl-1H-pyrazol-5-yl]acetate Basic Attributes

407.4 g/mol

407.14812078 g/mol

Characteristics

89.5 Ų

Computed Properties

Molecular Weight:407.4
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:407.14812078
Monoisotopic Mass:407.14812078
Topological Polar Surface Area:89.5
Heavy Atom Count:30
Complexity:728
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl 2-[4-[N-(1,3-benzodioxol-5-ylmethyl)-C-methylcarbonimidoyl]-3-oxo-2-phenyl-1H-pyrazol-5-yl]acetate

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