AC1NAADP
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone
Also Known As: 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one|1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone|1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethanone|1-[4-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)piperazinyl]-2-[4-phenyl-6-(trifl uoromethyl)pyrimidin-2-ylthio]ethan-1-one
| Molecular Formula | C25H23F3N4O3S |
|---|---|
| Molecular Weight | 516.1443 g/mol |
| LogP | 4.3276 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 516.1443 |
| Monoisotopic Mass | 516.1443 |
| Heavy Atoms | 36 |
| Complexity | 1234.9642 |
Chemical Identifiers
| CAS Number | 710288-75-8 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CSC4=NC(=CC(=N4)C(F)(F)F)C5=CC=CC=C5 |
Product Overview
AC1NAADP (CAS 710288-75-8), with molecular formula C25H23F3N4O3S and molecular weight 516.1443 g/mol. IUPAC: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone.