AC1LKMH5
methyl 2-[[2-(4-nitrophenoxy)acetyl]amino]-4-(4-propan-2-ylphenyl)thiophene-3-carboxylate
Also Known As: AK-968/40709845|methyl 2-[({4-nitrophenoxy}acetyl)amino]-4-(4-isopropylphenyl)thiophene-3-carboxylate|methyl 2-[[2-(4-nitrophenoxy)acetyl]amino]-4-(4-propan-2-ylphenyl)thiophene-3-carboxylate|methyl 2-{[(4-nitrophenoxy)acetyl]amino}-4-[4-(propan-2-yl)phenyl]thiophene-3-carboxylate|methyl 4-(4-isopropylphenyl)-2-(2-(4-nitrophenoxy)acetamido)thiophene-3-carboxylate|methyl 4-[4-(methylethyl)phenyl]-2-[2-(4-nitrophenoxy)acetylamino]thiophene-3- carboxylate
| Molecular Formula | C23H22N2O6S |
|---|---|
| Molecular Weight | 454.11984 g/mol |
| LogP | 5.2508 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 454.11984 |
| Monoisotopic Mass | 454.11984 |
| Heavy Atoms | 32 |
| Complexity | 1120.3933 |
Chemical Identifiers
| CAS Number | 445013-70-7 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
AC1LKMH5 (CAS 445013-70-7), with molecular formula C23H22N2O6S and molecular weight 454.11984 g/mol. IUPAC: methyl 2-[[2-(4-nitrophenoxy)acetyl]amino]-4-(4-propan-2-ylphenyl)thiophene-3-carboxylate.