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

methyl 4-[[2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate

methyl 4-[[2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate structure

methyl 4-[[2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate 

structure
  • CAS No:

    896594-49-3

  • Formula:

    C21H19FN4O3S

  • Chemical Name:

    methyl 4-[[2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate

  • Synonyms:

    ZINC2442618;STK697017;AKOS005528240;MCULE-2672487593;ST50425051;896594-49-3;methyl 4-[({[5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate;methyl 4-{2-[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-ylthio]acetylami no}benzoate

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

426.5 g/mol

426.11618982 g/mol

Characteristics

111 Ų

Computed Properties

Molecular Weight:426.5
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:426.11618982
Monoisotopic Mass:426.11618982
Topological Polar Surface Area:111
Heavy Atom Count:30
Complexity:595
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

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