AC1MESL9
diethyl 3-methyl-5-[[2-(5-methyl-3,4-dinitropyrazol-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate
Also Known As: ChemDiv1_002836|Oprea1_050779|HMS595A20|BAS 00398083|diethyl 3-methyl-5-[[2-(5-methyl-3,4-dinitropyrazol-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate|diethyl 3-methyl-5-(2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamido)thiophene-2,4-dicarboxylate|diethyl 3-methyl-5-{[(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetyl]amino}thiophene-2,4-dicarboxylate|ethyl 5-(ethoxycarbonyl)-4-methyl-2-[2-(5-methyl-3,4-dinitropyrazolyl)acetylam ino]thiophene-3-carboxylate
| Molecular Formula | C17H19N5O9S |
|---|---|
| Molecular Weight | 469.09036 g/mol |
| LogP | 2.36994 |
| Topological Polar Surface Area | 185.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 469.09036 |
| Monoisotopic Mass | 469.09036 |
| Heavy Atoms | 32 |
| Complexity | 1104.5712 |
Chemical Identifiers
| CAS Number | 345950-84-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])[N+](=O)[O-])C |
Product Overview
AC1MESL9 (CAS 345950-84-7), with molecular formula C17H19N5O9S and molecular weight 469.09036 g/mol. IUPAC: diethyl 3-methyl-5-[[2-(5-methyl-3,4-dinitropyrazol-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate.
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