AC1LJIY4
propan-2-yl 2-[(5-chloro-2-nitrobenzoyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Also Known As: Oprea1_042831|4-fluoro-3-methylphenyl carbonochloridate|AK-968/41925979|isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5-[(dimethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate|propan-2-yl 2-[(5-chloro-2-nitrobenzoyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate|ISOPROPYL 2-(5-CHLORO-2-NITROBENZAMIDO)-5-(DIMETHYLCARBAMOYL)-4-METHYLTHIOPHENE-3-CARBOXYLATE|methylethyl 5-(N,N-dimethylcarbamoyl)-2-[(5-chloro-2-nitrophenyl)carbonylamino ]-4-methylthiophene-3-carboxylate|propan-2-yl 2-{[(5-chloro-2-nitrophenyl)carbonyl]amino}-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
| Molecular Formula | C19H20ClN3O6S |
|---|---|
| Molecular Weight | 453.07614 g/mol |
| LogP | 4.13742 |
| Topological Polar Surface Area | 118.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.07614 |
| Monoisotopic Mass | 453.07614 |
| Heavy Atoms | 30 |
| Complexity | 1031.5173 |
Chemical Identifiers
| CAS Number | 515150-76-2 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C(=O)N(C)C |
Product Overview
AC1LJIY4 (CAS 515150-76-2), with molecular formula C19H20ClN3O6S and molecular weight 453.07614 g/mol. IUPAC: propan-2-yl 2-[(5-chloro-2-nitrobenzoyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate.
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