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Home > Encyclopedia > dimethyl 2-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate

dimethyl 2-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate

dimethyl 2-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate structure

dimethyl 2-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate 

structure
  • CAS No:

    730993-50-7

  • Formula:

    C20H19N5O5S

  • Chemical Name:

    dimethyl 2-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate

  • Synonyms:

    ZINC3285115;AKOS003988097;MCULE-5405543671;Z20252290;1,4-dimethyl 2-(2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzene-1,4-dicarboxylate;730993-50-7

dimethyl 2-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate Basic Attributes

441.5 g/mol

441.11068990 g/mol

Characteristics

151 Ų

Computed Properties

Molecular Weight:441.5
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:441.11068990
Monoisotopic Mass:441.11068990
Topological Polar Surface Area:151
Heavy Atom Count:31
Complexity:648
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of dimethyl 2-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate

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