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Home > Encyclopedia > methyl 4-[[5-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

methyl 4-[[5-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

methyl 4-[[5-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate structure

methyl 4-[[5-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate 

structure
  • CAS No:

    308298-15-9

  • Formula:

    C26H23N5O3S3

  • Chemical Name:

    methyl 4-[[5-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

  • Synonyms:

    ZINC1799240;STK997459;STL037439;AKOS001057392;AKOS005691247;MCULE-5842566434;308298-15-9;methyl 4-{[(5-{[(4-hydroxy-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoate;methyl 4-{[(5-{[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoate

methyl 4-[[5-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Basic Attributes

549.7 g/mol

549.09630313 g/mol

Characteristics

177 Ų

Computed Properties

Molecular Weight:549.7
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:549.09630313
Monoisotopic Mass:549.09630313
Topological Polar Surface Area:177
Heavy Atom Count:37
Complexity:849
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl 4-[[5-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

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