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Home > Encyclopedia > methyl 2-[[5-[[(3,4-dimethoxybenzoyl)amino]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate

methyl 2-[[5-[[(3,4-dimethoxybenzoyl)amino]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate

methyl 2-[[5-[[(3,4-dimethoxybenzoyl)amino]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate structure

methyl 2-[[5-[[(3,4-dimethoxybenzoyl)amino]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate 

structure
  • CAS No:

    689750-91-2

  • Formula:

    C21H21FN4O5S

  • Chemical Name:

    methyl 2-[[5-[[(3,4-dimethoxybenzoyl)amino]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate

  • Synonyms:

    689750-91-2;methyl {[5-({[(3,4-dimethoxyphenyl)carbonyl]amino}methyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate;methyl 2-[(5-{[(3,4-dimethoxyphenyl)formamido]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetate;ZINC2724067;STL279043;AKOS016382271;MCULE-8742947895;methyl 2-[[5-[[(3,4-dimethoxybenzoyl)amino]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate;F0601-0090;methyl 2-((5-((3,4-dimethoxybenzamido)methyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetate

methyl 2-[[5-[[(3,4-dimethoxybenzoyl)amino]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Basic Attributes

460.5 g/mol

460.12166912 g/mol

Characteristics

130 Ų

Computed Properties

Molecular Weight:460.5
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:10
Exact Mass:460.12166912
Monoisotopic Mass:460.12166912
Topological Polar Surface Area:130
Heavy Atom Count:32
Complexity:625
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl 2-[[5-[[(3,4-dimethoxybenzoyl)amino]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate

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