AC1MPEXP
ethyl 4-[6-(4-carbamoylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-yl]piperazine-1-carboxylate
Also Known As: Oprea1_063789|KS-00003D7T|7M-839|Ethyl 4-(6-(4-(aminocarbonyl)piperazino)-2-(methylsulfanyl)-4-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxylate|ethyl 4-[6-(4-carbamoylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-yl]piperazine-1-carboxylate|ethyl 4-[6-(4-carbamoylpiperazin-1-yl)-2-(methylsulfanyl)pyrimidin-4-yl]piperazine-1-carboxylate|Ethyl 4-[6-(4-carbamoylpiperazin-1-yl)-2-methylsulfanyl-pyrimidin-4-yl]piperazine-1-carboxylate|ethyl 4-[6-[4-(aminocarbonyl)piperazino]-2-(methylsulfanyl)-4-pyrimidinyl]tetrahydro-1(2H)-pyrazinecarboxylate|ethyl4-[6-(4-carbamoylpiperazin-1-yl)-2-(methylsulfanyl)pyrimidin-4-yl]piperazine-1-carboxylate
| Molecular Formula | C17H27N7O3S |
|---|---|
| Molecular Weight | 409.1896 g/mol |
| LogP | 0.6777 |
| Topological Polar Surface Area | 108.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.1896 |
| Monoisotopic Mass | 409.1896 |
| Heavy Atoms | 28 |
| Complexity | 703.99146 |
Chemical Identifiers
| CAS Number | 339017-92-4 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C2=NC(=NC(=C2)N3CCN(CC3)C(=O)N)SC |
Product Overview
AC1MPEXP (CAS 339017-92-4), with molecular formula C17H27N7O3S and molecular weight 409.1896 g/mol. IUPAC: ethyl 4-[6-(4-carbamoylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-yl]piperazine-1-carboxylate.
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