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Home > Encyclopedia > methyl 4-[3-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,5-dimethylpyrrol-1-yl]benzoate

methyl 4-[3-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,5-dimethylpyrrol-1-yl]benzoate

methyl 4-[3-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,5-dimethylpyrrol-1-yl]benzoate structure

methyl 4-[3-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,5-dimethylpyrrol-1-yl]benzoate 

structure
  • CAS No:

    571159-94-9

  • Formula:

    C18H19N5O3S

  • Chemical Name:

    methyl 4-[3-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,5-dimethylpyrrol-1-yl]benzoate

  • Synonyms:

    ZINC03320220;ZINC6477127;AKOS033611235;MCULE-6351875754;AB00719980-01;Z18356217;571159-94-9;methyl 4-(3-{2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate

methyl 4-[3-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,5-dimethylpyrrol-1-yl]benzoate Basic Attributes

385.4 g/mol

385.12086066 g/mol

Characteristics

141 Ų

Computed Properties

Molecular Weight:385.4
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:385.12086066
Monoisotopic Mass:385.12086066
Topological Polar Surface Area:141
Heavy Atom Count:27
Complexity:543
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl 4-[3-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,5-dimethylpyrrol-1-yl]benzoate

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