AC1LKNLF
4-[(4-bromopyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide
Also Known As: AK-968/41017523|4-[(4-bromopyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide|4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide|N-{4-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea|N-{4-[(4-BROMO-1H-PYRAZOL-1-YL)METHYL]BENZOYL}-N'-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)THIOUREA
| Molecular Formula | C21H18BrN5OS2 |
|---|---|
| Molecular Weight | 499.0136 g/mol |
| LogP | 4.63268 |
| Topological Polar Surface Area | 82.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 499.0136 |
| Monoisotopic Mass | 499.0136 |
| Heavy Atoms | 30 |
| Complexity | 1143.3511 |
Chemical Identifiers
| CAS Number | 492425-82-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)CN4C=C(C=N4)Br)C#N |
Product Overview
AC1LKNLF (CAS 492425-82-8), with molecular formula C21H18BrN5OS2 and molecular weight 499.0136 g/mol. IUPAC: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide.