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

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

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

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

structure
  • CAS No:

    566169-58-2

  • Formula:

    C21H24N4O3S

  • Chemical Name:

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

  • Synonyms:

    ZINC2663699;AKOS002448625;MCULE-1548422032;AB00725215-01;Z16259963;566169-58-2;ethyl 5-{2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate

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

412.5 g/mol

412.15691181 g/mol

Characteristics

115 Ų

Computed Properties

Molecular Weight:412.5
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:412.15691181
Monoisotopic Mass:412.15691181
Topological Polar Surface Area:115
Heavy Atom Count:29
Complexity:572
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

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