AC1N2VID
N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-5-nitro-1-benzothiophene-2-carboxamide
Also Known As: F0526-2195|N-(5-(benzo[d][1,3]dioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl)-5-nitrobenzo[b]thiophene-2-carboxamide|N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-5-nitro-1-benzothiophene-2-carboxamide|N-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-3-cyano-4-methylthiophen-2-yl}-5-nitro-1-benzothiophene-2-carboxamide|N-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-3-cyano-4-methyl-2-thienyl}-5-nitro-1-benzothiophene-2-carboxamide
| Molecular Formula | C23H15N3O5S2 |
|---|---|
| Molecular Weight | 477.04532 g/mol |
| LogP | 5.6229 |
| Topological Polar Surface Area | 114.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 477.04532 |
| Monoisotopic Mass | 477.04532 |
| Heavy Atoms | 33 |
| Complexity | 1481.5074 |
Chemical Identifiers
| CAS Number | 476367-97-2 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])CC4=CC5=C(C=C4)OCO5 |
Product Overview
AC1N2VID (CAS 476367-97-2), with molecular formula C23H15N3O5S2 and molecular weight 477.04532 g/mol. IUPAC: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-5-nitro-1-benzothiophene-2-carboxamide.