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

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

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

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

structure
  • CAS No:

    585557-35-3

  • Formula:

    C21H23N5O4S

  • Chemical Name:

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

  • Synonyms:

    ZINC2392040;STL341805;AKOS002187941;MCULE-7644969017;ST50084712;585557-35-3;methyl 4-(2-{4-amino-5-[3-(methylethoxy)phenyl]-1,2,4-triazol-3-ylthio}acetyla mino)benzoate;methyl 4-{[({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate

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

441.5 g/mol

441.14707541 g/mol

Characteristics

147 Ų

Computed Properties

Molecular Weight:441.5
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:441.14707541
Monoisotopic Mass:441.14707541
Topological Polar Surface Area:147
Heavy Atom Count:31
Complexity:602
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

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