AC1LKI4O
methyl 4-(3,4-dimethylphenyl)-2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxylate
Also Known As: AK-968/40709791|methyl 4-(3,4-dimethylphenyl)-2-[({4-nitrophenyl}acetyl)amino]thiophene-3-carboxylate|methyl 4-(3,4-dimethylphenyl)-2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxylate|methyl 4-(3,4-dimethylphenyl)-2-(2-(4-nitrophenyl)acetamido)thiophene-3-carboxylate|methyl 4-(3,4-dimethylphenyl)-2-{[(4-nitrophenyl)acetyl]amino}thiophene-3-carboxylate|METHYL 4-(3,4-DIMETHYLPHENYL)-2-{[2-(4-NITROPHENYL)ACETYL]AMINO}-3-THIOPHENECARBOXYLATE
| Molecular Formula | C22H20N2O5S |
|---|---|
| Molecular Weight | 424.10928 g/mol |
| LogP | 4.90794 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.10928 |
| Monoisotopic Mass | 424.10928 |
| Heavy Atoms | 30 |
| Complexity | 1119.0566 |
Chemical Identifiers
| CAS Number | 445013-55-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])C |
Product Overview
AC1LKI4O (CAS 445013-55-8), with molecular formula C22H20N2O5S and molecular weight 424.10928 g/mol. IUPAC: methyl 4-(3,4-dimethylphenyl)-2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxylate.
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