AC1LK5EN
methyl 2-[(5-chloro-2-nitrobenzoyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
Also Known As: Oprea1_708465|AK-968/15252963|methyl 2-[(5-chloro-2-nitrobenzoyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate|methyl 2-({5-chloro-2-nitrobenzoyl}amino)-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate|Methyl 2-[(5-chloro-2-nitro-benzoyl)amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate|methyl 2-{[(5-chloro-2-nitrophenyl)carbonyl]amino}-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate|methyl 5-(N,N-diethylcarbamoyl)-2-[(5-chloro-2-nitrophenyl)carbonylamino]-4-me thylthiophene-3-carboxylate
| Molecular Formula | C19H20ClN3O6S |
|---|---|
| Molecular Weight | 453.07614 g/mol |
| LogP | 4.13902 |
| Topological Polar Surface Area | 118.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 453.07614 |
| Monoisotopic Mass | 453.07614 |
| Heavy Atoms | 30 |
| Complexity | 1015.93896 |
Chemical Identifiers
| CAS Number | 445285-64-3 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C(=O)OC)C |
Product Overview
AC1LK5EN (CAS 445285-64-3), with molecular formula C19H20ClN3O6S and molecular weight 453.07614 g/mol. IUPAC: methyl 2-[(5-chloro-2-nitrobenzoyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate.