AC1LJPQA
2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridinyl]sulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide
Also Known As: BAS 06900549|AM-807/13616782|2-((6-(benzo[d][1,3]dioxol-5-yl)-3-cyanopyridin-2-yl)thio)-N-(5-fluoro-2-methylphenyl)acetamide|2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide|2-{[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridinyl]sulfanyl}-N-(5-fluoro-2-methylphenyl)acetamide|2-{[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl}-N-(5-fluoro-2-methylphenyl)acetamide
| Molecular Formula | C22H16FN3O3S |
|---|---|
| Molecular Weight | 421.08963 g/mol |
| LogP | 4.5273 |
| Topological Polar Surface Area | 84.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.08963 |
| Monoisotopic Mass | 421.08963 |
| Heavy Atoms | 30 |
| Complexity | 1176.7748 |
Chemical Identifiers
| CAS Number | 445381-08-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)F)NC(=O)CSC2=C(C=CC(=N2)C3=CC4=C(C=C3)OCO4)C#N |
Product Overview
AC1LJPQA (CAS 445381-08-8), with molecular formula C22H16FN3O3S and molecular weight 421.08963 g/mol. IUPAC: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridinyl]sulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide.
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