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

methyl 4-[2,5-dimethyl-3-[2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrrol-1-yl]benzoate

methyl 4-[2,5-dimethyl-3-[2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrrol-1-yl]benzoate structure

methyl 4-[2,5-dimethyl-3-[2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrrol-1-yl]benzoate 

structure
  • CAS No:

    735298-95-0

  • Formula:

    C21H24N4O3S

  • Chemical Name:

    methyl 4-[2,5-dimethyl-3-[2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrrol-1-yl]benzoate

  • Synonyms:

    ZINC6477125;AKOS033942437;MCULE-2453946024;AB00722673-01;Z25470199;735298-95-0;methyl 4-[2,5-dimethyl-3-(2-{[5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-1H-pyrrol-1-yl]benzoate

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

412.5 g/mol

412.15691181 g/mol

Characteristics

115 Ų

Computed Properties

Molecular Weight:412.5
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:412.15691181
Monoisotopic Mass:412.15691181
Topological Polar Surface Area:115
Heavy Atom Count:29
Complexity:582
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

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