AC1NFS6J
methyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-4-methylthiophene-3-carboxylate
Also Known As: Oprea1_447579|SR-01000006768-1|F0526-2106|methyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-4-methylthiophene-3-carboxylate|methyl 5-(benzo[d][1,3]dioxol-5-ylmethyl)-2-(2-(2,5-dioxopyrrolidin-1-yl)acetamido)-4-methylthiophene-3-carboxylate|methyl 5-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(2,5-dioxopyrrolidin-1-yl)acetamido]-4-methylthiophene-3-carboxylate
| Molecular Formula | C21H20N2O7S |
|---|---|
| Molecular Weight | 444.09912 g/mol |
| LogP | 2.25012 |
| Topological Polar Surface Area | 111.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.09912 |
| Monoisotopic Mass | 444.09912 |
| Heavy Atoms | 31 |
| Complexity | 1075.6377 |
Chemical Identifiers
| CAS Number | 476367-00-7 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)CN2C(=O)CCC2=O)CC3=CC4=C(C=C3)OCO4 |
Product Overview
AC1NFS6J (CAS 476367-00-7), with molecular formula C21H20N2O7S and molecular weight 444.09912 g/mol. IUPAC: methyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-4-methylthiophene-3-carboxylate.
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