AC1MDGNL
dimethyl 2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Also Known As: Oprea1_423306|Oprea1_854879|AF-399/13428149|SR-01000429732-1|dimethyl 2-{[(3,5-dimethylphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate|3,4-DIMETHYL 2-[2-(3,5-DIMETHYLPHENOXY)ACETAMIDO]-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3,4-DICARBOXYLATE|dimethyl 2-(2-(3,5-dimethylphenoxy)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate|dimethyl 2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate|methyl 2-[2-(3,5-dimethylphenoxy)acetylamino]-3-(methoxycarbonyl)-4,5,6-trihyd rocyclopenta[3,2-b]thiophene-4-carboxylate
| Molecular Formula | C21H23NO6S |
|---|---|
| Molecular Weight | 417.1246 g/mol |
| LogP | 3.37184 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.1246 |
| Monoisotopic Mass | 417.1246 |
| Heavy Atoms | 29 |
| Complexity | 944.07117 |
Chemical Identifiers
| CAS Number | 302802-79-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OCC(=O)NC2=C(C3=C(S2)CCC3C(=O)OC)C(=O)OC)C |
Product Overview
AC1MDGNL (CAS 302802-79-5), with molecular formula C21H23NO6S and molecular weight 417.1246 g/mol. IUPAC: dimethyl 2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate.
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