AC1N6S18
propyl 4-(4-butan-2-ylphenyl)-5-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate
Also Known As: AK-968/41026617|propyl 4-(4-butan-2-ylphenyl)-5-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate|propyl 4-(4-sec-butylphenyl)-2-({4-nitrobenzoyl}amino)-5-methyl-3-thiophenecarboxylate|propyl 4-(4-(sec-butyl)phenyl)-5-methyl-2-(4-nitrobenzamido)thiophene-3-carboxylate|propyl 4-[4-(butan-2-yl)phenyl]-5-methyl-2-{[(4-nitrophenyl)carbonyl]amino}thiophene-3-carboxylate|propyl 5-methyl-4-[4-(methylpropyl)phenyl]-2-[(4-nitrophenyl)carbonylamino]thi ophene-3-carboxylate
| Molecular Formula | C26H28N2O5S |
|---|---|
| Molecular Weight | 480.1719 g/mol |
| LogP | 6.96432 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 480.1719 |
| Monoisotopic Mass | 480.1719 |
| Heavy Atoms | 34 |
| Complexity | 1183.1501 |
Chemical Identifiers
| CAS Number | 445258-48-0 |
|---|---|
| SMILES | CCCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C(C)CC)C)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
AC1N6S18 (CAS 445258-48-0), with molecular formula C26H28N2O5S and molecular weight 480.1719 g/mol. IUPAC: propyl 4-(4-butan-2-ylphenyl)-5-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate.