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Home > Encyclopedia > methyl 2-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

methyl 2-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

methyl 2-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate structure

methyl 2-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate 

structure
  • CAS No:

    956612-40-1

  • Formula:

    C19H23BrN4O3S2

  • Chemical Name:

    methyl 2-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

  • Synonyms:

    C19H23BrN4O3S2;ZINC2863849;STK775503;AKOS005617814;MCULE-8419110543;956612-40-1;methyl 2-({[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

methyl 2-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Basic Attributes

499.4 g/mol

498.03950 g/mol

Characteristics

146 Ų

Computed Properties

Molecular Weight:499.4
XLogP3:5.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:498.03950
Monoisotopic Mass:498.03950
Topological Polar Surface Area:146
Heavy Atom Count:29
Complexity:641
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl 2-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

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