AC1N8I98
N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-3,5-dichlorobenzamide
Also Known As: AB00668014-01|F0526-2146|N-(5-(benzo[d][1,3]dioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl)-3,5-dichlorobenzamide|N-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-3-cyano-4-methylthiophen-2-yl}-3,5-dichlorobenzamide|N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-3,5-dichlorobenzamide|N-[5-(benzo[1,3]dioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-3,5-dichloro-benzamide|N-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-3-cyano-4-methyl-2-thienyl}3,5-dichlorobenzamide
| Molecular Formula | C21H14Cl2N2O3S |
|---|---|
| Molecular Weight | 444.01022 g/mol |
| LogP | 5.8068 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.01022 |
| Monoisotopic Mass | 444.01022 |
| Heavy Atoms | 29 |
| Complexity | 1147.2134 |
Chemical Identifiers
| CAS Number | 476367-40-5 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C2=CC(=CC(=C2)Cl)Cl)CC3=CC4=C(C=C3)OCO4 |
Product Overview
AC1N8I98 (CAS 476367-40-5), with molecular formula C21H14Cl2N2O3S and molecular weight 444.01022 g/mol. IUPAC: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-3,5-dichlorobenzamide.
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