Oprea1_465187
methyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxylate
Also Known As: Oprea1_465187|F0526-2105|methyl 5-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamido]-4-methylthiophene-3-carboxylate|methyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxylate|methyl 5-(benzo[d][1,3]dioxol-5-ylmethyl)-2-(2-(1,3-dioxoisoindolin-2-yl)acetamido)-4-methylthiophene-3-carboxylate|methyl 5-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(1,3-dioxo-2-isoindolinyl)methyl]carbonylamino}-4-methyl-3-thenoate
| Molecular Formula | C25H20N2O7S |
|---|---|
| Molecular Weight | 492.09912 g/mol |
| LogP | 3.39732 |
| Topological Polar Surface Area | 111.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 492.09912 |
| Monoisotopic Mass | 492.09912 |
| Heavy Atoms | 35 |
| Complexity | 1359.4474 |
Chemical Identifiers
| CAS Number | 476366-99-1 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O)CC4=CC5=C(C=C4)OCO5 |
Product Overview
Oprea1_465187 (CAS 476366-99-1), with molecular formula C25H20N2O7S and molecular weight 492.09912 g/mol. IUPAC: methyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxylate.
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