AC1N4ETI
ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(2-phenylquinoline-4-carbonyl)amino]thiophene-3-carboxylate
Also Known As: Oprea1_159314|F0526-2006|ethyl 5-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-(2-phenylquinoline-4-amido)thiophene-3-carboxylate|ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(2-phenylquinoline-4-carbonyl)amino]thiophene-3-carboxylate|ethyl 5-(benzo[d][1,3]dioxol-5-ylmethyl)-4-methyl-2-(2-phenylquinoline-4-carboxamido)thiophene-3-carboxylate|ethyl 5-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-(2-phenyl-4-quinolylcarbonylamino)-3-thenoate
| Molecular Formula | C32H26N2O5S |
|---|---|
| Molecular Weight | 550.15625 g/mol |
| LogP | 7.02022 |
| Topological Polar Surface Area | 86.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 550.15625 |
| Monoisotopic Mass | 550.15625 |
| Heavy Atoms | 40 |
| Complexity | 1745.8485 |
Chemical Identifiers
| CAS Number | 476366-03-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6 |
Product Overview
AC1N4ETI (CAS 476366-03-7), with molecular formula C32H26N2O5S and molecular weight 550.15625 g/mol. IUPAC: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(2-phenylquinoline-4-carbonyl)amino]thiophene-3-carboxylate.
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