MLS000696866
methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-oxochromene-2-carbonyl)amino]thiophene-3-carboxylate
Also Known As: Oprea1_277066|F0526-2104|methyl 5-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-(4-oxo-4H-chromene-2-amido)thiophene-3-carboxylate|methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-oxochromene-2-carbonyl)amino]thiophene-3-carboxylate|methyl 5-(benzo[d][1,3]dioxol-5-ylmethyl)-4-methyl-2-(4-oxo-4H-chromene-2-carboxamido)thiophene-3-carboxylate|methyl 5-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-(4-oxo-4H-chromen-2-ylcarbonylamino)-3-thenoate
| Molecular Formula | C25H19NO7S |
|---|---|
| Molecular Weight | 477.08823 g/mol |
| LogP | 4.52132 |
| Topological Polar Surface Area | 104.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 477.08823 |
| Monoisotopic Mass | 477.08823 |
| Heavy Atoms | 34 |
| Complexity | 1501.1693 |
Chemical Identifiers
| CAS Number | 476366-98-0 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=O)C3=CC=CC=C3O2)CC4=CC5=C(C=C4)OCO5 |
Product Overview
MLS000696866 (CAS 476366-98-0), with molecular formula C25H19NO7S and molecular weight 477.08823 g/mol. IUPAC: methyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-oxochromene-2-carbonyl)amino]thiophene-3-carboxylate.
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