AC1MS0PK
N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-2-phenoxybenzamide
Also Known As: AB00668015-01|F0526-2153|N-(5-(benzo[d][1,3]dioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl)-2-phenoxybenzamide|N-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-3-cyano-4-methylthiophen-2-yl}-2-phenoxybenzamide|N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-2-phenoxybenzamide|N-[5-(benzo[1,3]dioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-2-phenoxy-benzamide|N-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-3-cyano-4-methyl-2-thienyl}o-phenoxybenzamide
| Molecular Formula | C27H20N2O4S |
|---|---|
| Molecular Weight | 468.11438 g/mol |
| LogP | 6.2923 |
| Topological Polar Surface Area | 80.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 468.11438 |
| Monoisotopic Mass | 468.11438 |
| Heavy Atoms | 34 |
| Complexity | 1406.15 |
Chemical Identifiers
| CAS Number | 476367-48-3 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C2=CC=CC=C2OC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5 |
Product Overview
AC1MS0PK (CAS 476367-48-3), with molecular formula C27H20N2O4S and molecular weight 468.11438 g/mol. IUPAC: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-2-phenoxybenzamide.
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