AC1LJPUN
N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-cyano-6-(4-methoxyphenyl)-4-thiophen-2-yl-2-pyridinyl]sulfanyl]acetamide
Also Known As: BAS 06900457|AM-807/13617222|N-(1,3-benzodioxol-5-ylmethyl)-2-[3-cyano-6-(4-methoxyphenyl)-4-thiophen-2-ylpyridin-2-yl]sulfanylacetamide|N-(1,3-benzodioxol-5-ylmethyl)-2-{[3-cyano-6-(4-methoxyphenyl)-4-(2-thienyl)-2-pyridinyl]sulfanyl}acetamide|N-(1,3-benzodioxol-5-ylmethyl)-2-{[3-cyano-6-(4-methoxyphenyl)-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetamide|N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((3-cyano-6-(4-methoxyphenyl)-4-(thiophen-2-yl)pyridin-2-yl)thio)acetamide
| Molecular Formula | C27H21N3O4S2 |
|---|---|
| Molecular Weight | 515.09735 g/mol |
| LogP | 5.49458 |
| Topological Polar Surface Area | 93.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 515.09735 |
| Monoisotopic Mass | 515.09735 |
| Heavy Atoms | 36 |
| Complexity | 1430.9019 |
Chemical Identifiers
| CAS Number | 445381-31-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CS3)C#N)SCC(=O)NCC4=CC5=C(C=C4)OCO5 |
Product Overview
AC1LJPUN (CAS 445381-31-7), with molecular formula C27H21N3O4S2 and molecular weight 515.09735 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-cyano-6-(4-methoxyphenyl)-4-thiophen-2-yl-2-pyridinyl]sulfanyl]acetamide.
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