AC1LKNKX
methyl 2-[(4-bromo-1-ethylpyrazole-3-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AK-968/41017512|methyl 2-({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-[({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-[(4-bromo-1-ethylpyrazole-3-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-(3-(4-bromo-1-ethyl-1H-pyrazole-3-carbonyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C17H19BrN4O3S2 |
|---|---|
| Molecular Weight | 470.0082 g/mol |
| LogP | 3.5192 |
| Topological Polar Surface Area | 85.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 470.0082 |
| Monoisotopic Mass | 470.0082 |
| Heavy Atoms | 27 |
| Complexity | 906.371 |
Chemical Identifiers
| CAS Number | 492425-77-1 |
|---|---|
| SMILES | CCN1C=C(C(=N1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC)Br |
Product Overview
AC1LKNKX (CAS 492425-77-1), with molecular formula C17H19BrN4O3S2 and molecular weight 470.0082 g/mol. IUPAC: methyl 2-[(4-bromo-1-ethylpyrazole-3-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
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