AC1MHCLD
dimethyl 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]amino]benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,4-dicarboxylate|dimethyl 2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbothioamido)terephthalate|DIMETHYL 2-({[4-(1,3-BENZODIOXOL-5-YLMETHYL)PIPERAZINO]CARBOTHIOYL}AMINO)TEREPHTHALATE|dimethyl 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]amino]benzene-1,4-dicarboxylate|methyl 3-({[4-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)piperazinyl]thioxomethyl }amino)-4-(methoxycarbonyl)benzoate
| Molecular Formula | C23H25N3O6S |
|---|---|
| Molecular Weight | 471.1464 g/mol |
| LogP | 2.5031 |
| Topological Polar Surface Area | 89.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 471.1464 |
| Monoisotopic Mass | 471.1464 |
| Heavy Atoms | 33 |
| Complexity | 1068.1575 |
Chemical Identifiers
| CAS Number | 831232-79-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 |
Product Overview
AC1MHCLD (CAS 831232-79-2), with molecular formula C23H25N3O6S and molecular weight 471.1464 g/mol. IUPAC: dimethyl 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]amino]benzene-1,4-dicarboxylate.
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