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

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

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

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

structure
  • CAS No:

    689748-11-6

  • Formula:

    C21H21FN4O3S

  • Chemical Name:

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

  • Synonyms:

    689748-11-6;methyl 2-((4-(2,5-dimethylphenyl)-5-((3-fluorobenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate;methyl 2-{[4-(2,5-dimethylphenyl)-5-{[(3-fluorophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate;ZINC2724023;AKOS024586352;MCULE-2981721147;methyl 2-[[4-(2,5-dimethylphenyl)-5-[[(3-fluorobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate;EU-0090828;SR-01000123010;SR-01000123010-1;F0601-0034

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

428.5 g/mol

428.13183988 g/mol

Characteristics

111 Ų

Computed Properties

Molecular Weight:428.5
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:428.13183988
Monoisotopic Mass:428.13183988
Topological Polar Surface Area:111
Heavy Atom Count:30
Complexity:599
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

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