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Home > Encyclopedia > methyl 2-[2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-3-oxo-1H-pyrazol-5-yl]acetate

methyl 2-[2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-3-oxo-1H-pyrazol-5-yl]acetate

methyl 2-[2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-3-oxo-1H-pyrazol-5-yl]acetate structure

methyl 2-[2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-3-oxo-1H-pyrazol-5-yl]acetate 

structure
  • CAS No:

    523992-08-7

  • Formula:

    C23H22N4O3S

  • Chemical Name:

    methyl 2-[2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-3-oxo-1H-pyrazol-5-yl]acetate

  • Synonyms:

    STL357467;ZINC18032045;AKOS002332371;AKOS003296030;ZINC104818435;MCULE-6357029321;ST50763832;(Z)-methyl 2-(1-(benzo[d]thiazol-2-yl)-5-oxo-4-(1-(phenethylamino)ethylidene)-4,5-dihydro-1H-pyrazol-3-yl)acetate;523992-08-7;methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-{1-[(2-phenylethyl)amino]ethylidene}-4,5-dihydro-1H-pyrazol-3-yl]acetate;methyl 2-(1-benzothiazol-2-yl-5-oxo-4-{[(2-phenylethyl)amino]ethylidene}-1,2-d iazolin-3-yl)acetate

methyl 2-[2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-3-oxo-1H-pyrazol-5-yl]acetate Basic Attributes

434.5 g/mol

434.14126175 g/mol

Characteristics

112 Ų

Computed Properties

Molecular Weight:434.5
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:434.14126175
Monoisotopic Mass:434.14126175
Topological Polar Surface Area:112
Heavy Atom Count:31
Complexity:747
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl 2-[2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-3-oxo-1H-pyrazol-5-yl]acetate

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