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

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

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

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

structure
  • CAS No:

    957012-85-0

  • Formula:

    C18H21BrN4O3S2

  • Chemical Name:

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

  • Synonyms:

    ZINC2450154;STK775688;ZINC02450154;AKOS005618014;MCULE-7980045157;957012-85-0;methyl 2-({[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

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

485.4 g/mol

484.02385 g/mol

Characteristics

146 Ų

Computed Properties

Molecular Weight:485.4
XLogP3:5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:484.02385
Monoisotopic Mass:484.02385
Topological Polar Surface Area:146
Heavy Atom Count:28
Complexity:611
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

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