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Home > Encyclopedia > methyl 4-[(E)-[(2E)-2-(2-anilino-1-cyano-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl]benzoate

methyl 4-[(E)-[(2E)-2-(2-anilino-1-cyano-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl]benzoate

methyl 4-[(E)-[(2E)-2-(2-anilino-1-cyano-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl]benzoate structure

methyl 4-[(E)-[(2E)-2-(2-anilino-1-cyano-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl]benzoate 

structure
  • CAS No:

    850729-12-3

  • Formula:

    C27H19N3O4S

  • Chemical Name:

    methyl 4-[(E)-[(2E)-2-(2-anilino-1-cyano-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl]benzoate

  • Synonyms:

    ZINC2398644;STK660971;AKOS002276632;ST50166525;850729-12-3;methyl 4-({2-[cyano(N-phenylcarbamoyl)methylene]-4-oxo-3-phenyl-1,3-thiazolidi n-5-ylidene}methyl)benzoate;methyl 4-[(E)-{(2E)-2-[1-cyano-2-oxo-2-(phenylamino)ethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene}methyl]benzoate

methyl 4-[(E)-[(2E)-2-(2-anilino-1-cyano-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl]benzoate Basic Attributes

481.5 g/mol

481.10962727 g/mol

Characteristics

125 Ų

Computed Properties

Molecular Weight:481.5
XLogP3:5.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:481.10962727
Monoisotopic Mass:481.10962727
Topological Polar Surface Area:125
Heavy Atom Count:35
Complexity:929
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl 4-[(E)-[(2E)-2-(2-anilino-1-cyano-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl]benzoate

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