AC1LK3ME
propan-2-yl 5-(diethylcarbamoyl)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate
Also Known As: AK-968/13034942|isopropyl 5-[(diethylamino)carbonyl]-2-{[3-(2-furyl)acryloyl]amino}-4-methyl-3-thiophenecarboxylate|propan-2-yl 5-(diethylcarbamoyl)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate|(E)-isopropyl 5-(diethylcarbamoyl)-2-(3-(furan-2-yl)acrylamido)-4-methylthiophene-3-carboxylate|methylethyl 2-((2E)-3-(2-furyl)prop-2-enoylamino)-5-(N,N-diethylcarbamoyl)-4-m ethylthiophene-3-carboxylate|propan-2-yl 5-(diethylcarbamoyl)-2-{[(2E)-3-(furan-2-yl)prop-2-enoyl]amino}-4-methylthiophene-3-carboxylate
| Molecular Formula | C21H26N2O5S |
|---|---|
| Molecular Weight | 418.15625 g/mol |
| LogP | 4.34862 |
| Topological Polar Surface Area | 88.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 418.15625 |
| Monoisotopic Mass | 418.15625 |
| Heavy Atoms | 29 |
| Complexity | 892.5682 |
Chemical Identifiers
| CAS Number | 543716-56-9 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)/C=C/C2=CC=CO2)C(=O)OC(C)C)C |
Product Overview
AC1LK3ME (CAS 543716-56-9), with molecular formula C21H26N2O5S and molecular weight 418.15625 g/mol. IUPAC: propan-2-yl 5-(diethylcarbamoyl)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate.