AC1NNFOI
4-bromo-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1-ethylpyrazole-3-carboxamide
Also Known As: AK-968/41017511|4-bromo-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1-ethylpyrazole-3-carboxamide|4-bromo-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1-ethyl-1H-pyrazole-3-carboxamide|N-[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]-N'-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea|N-[(4-BROMO-1-ETHYL-1H-PYRAZOL-3-YL)CARBONYL]-N'-(3-CYANO-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)THIOUREA
| Molecular Formula | C17H18BrN5OS2 |
|---|---|
| Molecular Weight | 451.0136 g/mol |
| LogP | 3.85028 |
| Topological Polar Surface Area | 82.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 451.0136 |
| Monoisotopic Mass | 451.0136 |
| Heavy Atoms | 26 |
| Complexity | 911.13043 |
Chemical Identifiers
| CAS Number | 492425-76-0 |
|---|---|
| SMILES | CCN1C=C(C(=N1)C(=O)NC(=S)NC2=C(C3=C(S2)CC(CC3)C)C#N)Br |
Product Overview
AC1NNFOI (CAS 492425-76-0), with molecular formula C17H18BrN5OS2 and molecular weight 451.0136 g/mol. IUPAC: 4-bromo-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1-ethylpyrazole-3-carboxamide.