AC1MEJUV
dimethyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Also Known As: Oprea1_216155|Oprea1_364701|BAS 01292124|AF-399/13426006|dimethyl 2-[(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate|SR-01000429727-1|dimethyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate|3,4-DIMETHYL 2-(2,3-DIHYDRO-1,4-BENZODIOXINE-2-AMIDO)-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3,4-DICARBOXYLATE|dimethyl 2-(2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate|methyl 2-(2H,3H-benzo[e]1,4-dioxan-2-ylcarbonylamino)-3-(methoxycarbonyl)-4,5, 6-trihydrocyclopenta[3,2-b]thiophene-4-carboxylate
| Molecular Formula | C20H19NO7S |
|---|---|
| Molecular Weight | 417.08823 g/mol |
| LogP | 2.516 |
| Topological Polar Surface Area | 100.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.08823 |
| Monoisotopic Mass | 417.08823 |
| Heavy Atoms | 29 |
| Complexity | 983.20447 |
Chemical Identifiers
| CAS Number | 302802-68-2 |
|---|---|
| SMILES | COC(=O)C1CCC2=C1C(=C(S2)NC(=O)C3COC4=CC=CC=C4O3)C(=O)OC |
Product Overview
AC1MEJUV (CAS 302802-68-2), with molecular formula C20H19NO7S and molecular weight 417.08823 g/mol. IUPAC: dimethyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate.