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Home > Encyclopedia > methyl 5-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

methyl 5-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

methyl 5-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate structure

methyl 5-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate 

structure
  • CAS No:

    786723-52-2

  • Formula:

    C20H22N4O3S

  • Chemical Name:

    methyl 5-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

  • Synonyms:

    ZINC3372893;AKOS017019115;MCULE-4494956307;Z24542016;786723-52-2;methyl 5-{2-[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate

methyl 5-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Basic Attributes

398.5 g/mol

398.14126175 g/mol

Characteristics

115 Ų

Computed Properties

Molecular Weight:398.5
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:398.14126175
Monoisotopic Mass:398.14126175
Topological Polar Surface Area:115
Heavy Atom Count:28
Complexity:558
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl 5-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

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