AC1MG48Z
methyl 4,5-dimethyl-2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate
Also Known As: Methyl 4,5-dimethyl-2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate|methyl 4,5-dimethyl-2-(4-(4-nitrophenyl)piperazine-1-carbothioamido)thiophene-3-carboxylate|methyl 4,5-dimethyl-2-({[4-(4-nitrophenyl)piperazin-1-yl]carbonothioyl}amino)thiophene-3-carboxylate|methyl 4,5-dimethyl-2-({[4-(4-nitrophenyl)piperazinyl]thioxomethyl}amino)thiop hene-3-carboxylate
| Molecular Formula | C19H22N4O4S2 |
|---|---|
| Molecular Weight | 434.10825 g/mol |
| LogP | 3.57874 |
| Topological Polar Surface Area | 87.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.10825 |
| Monoisotopic Mass | 434.10825 |
| Heavy Atoms | 29 |
| Complexity | 934.4309 |
Chemical Identifiers
| CAS Number | 701941-64-2 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C |
Product Overview
AC1MG48Z (CAS 701941-64-2), with molecular formula C19H22N4O4S2 and molecular weight 434.10825 g/mol. IUPAC: methyl 4,5-dimethyl-2-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate.
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