AC1LK2D7
propan-2-yl 2-[(5-chloro-2-nitrobenzoyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
Also Known As: Oprea1_161669|AK-968/12975429|isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate|propan-2-yl 2-[(5-chloro-2-nitrobenzoyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate|ISOPROPYL 2-(5-CHLORO-2-NITROBENZAMIDO)-5-(DIETHYLCARBAMOYL)-4-METHYLTHIOPHENE-3-CARBOXYLATE|methylethyl 5-(N,N-diethylcarbamoyl)-2-[(5-chloro-2-nitrophenyl)carbonylamino] -4-methylthiophene-3-carboxylate|propan-2-yl 2-{[(5-chloro-2-nitrophenyl)carbonyl]amino}-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
| Molecular Formula | C21H24ClN3O6S |
|---|---|
| Molecular Weight | 481.10742 g/mol |
| LogP | 4.91762 |
| Topological Polar Surface Area | 118.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 481.10742 |
| Monoisotopic Mass | 481.10742 |
| Heavy Atoms | 32 |
| Complexity | 1062.0447 |
Chemical Identifiers
| CAS Number | 543715-18-0 |
|---|---|
| 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)C)C |
Product Overview
AC1LK2D7 (CAS 543715-18-0), with molecular formula C21H24ClN3O6S and molecular weight 481.10742 g/mol. IUPAC: propan-2-yl 2-[(5-chloro-2-nitrobenzoyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate.
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