AC1NNO80
methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate
Also Known As: F0526-2088|SR-01000006767-1|methyl 5-(benzo[d][1,3]dioxol-5-ylmethyl)-4-methyl-2-(5-nitrofuran-2-carboxamido)thiophene-3-carboxylate|methyl 5-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-(5-nitrofuran-2-amido)thiophene-3-carboxylate|methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate|methyl 5-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-(5-nitro-2-furylamino)-3-thenoate
| Molecular Formula | C20H16N2O8S |
|---|---|
| Molecular Weight | 444.06274 g/mol |
| LogP | 3.91612 |
| Topological Polar Surface Area | 130.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.06274 |
| Monoisotopic Mass | 444.06274 |
| Heavy Atoms | 31 |
| Complexity | 1196.004 |
Chemical Identifiers
| CAS Number | 476366-82-2 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(O2)[N+](=O)[O-])CC3=CC4=C(C=C3)OCO4 |
Product Overview
AC1NNO80 (CAS 476366-82-2), with molecular formula C20H16N2O8S and molecular weight 444.06274 g/mol. IUPAC: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate.
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