AC1MG3LF
ethyl 2-[[2-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate
Also Known As: ethyl 2-[({2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazinyl}carbonothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate|ethyl 2-(2-(2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propanoyl)hydrazinecarbothioamido)-5-methyl-4-phenylthiophene-3-carboxylate|ethyl 2-[({[2-(3-methoxy-4-nitropyrazolyl)propanoylamino]amino}thioxomethyl)am ino]-5-methyl-4-phenylthiophene-3-carboxylate|ethyl 2-[[2-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate
| Molecular Formula | C22H24N6O6S2 |
|---|---|
| Molecular Weight | 532.1199 g/mol |
| LogP | 3.59232 |
| Topological Polar Surface Area | 149.65 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 532.1199 |
| Monoisotopic Mass | 532.1199 |
| Heavy Atoms | 36 |
| Complexity | 1289.6866 |
Chemical Identifiers
| CAS Number | 896255-54-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NNC(=O)C(C)N3C=C(C(=N3)OC)[N+](=O)[O-] |
Product Overview
AC1MG3LF (CAS 896255-54-2), with molecular formula C22H24N6O6S2 and molecular weight 532.1199 g/mol. IUPAC: ethyl 2-[[2-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate.
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