AC1LXKCJ
6-(ethoxymethyl)-5-[[4-(2-methylpropoxy)phenyl]methyl]-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: Oprea1_180112|Oprea1_875435|BAS 00334122|AG-690/36174014|6-(ethoxymethyl)-5-(4-isobutoxybenzyl)-2-mercaptopyrimidin-4-ol|6-(ethoxymethyl)-5-(4-isobutoxybenzyl)-2-sulfanyl-4-pyrimidinol|6-(ethoxymethyl)-5-[[4-(2-methylpropoxy)phenyl]methyl]-2-sulfanylidene-1H-pyrimidin-4-one|6-Ethoxymethyl-5-(4-isobutoxy-benzyl)-2-mercapto-pyrimidin-4-ol|6-(ethoxymethyl)-5-[4-(2-methylpropoxy)benzyl]-2-sulfanylpyrimidin-4-ol|6-(ethoxymethyl)-5-{[4-(2-methylpropoxy)phenyl]methyl}-2-sulfanylpyrimidin-4-o l
| Molecular Formula | C18H24N2O3S |
|---|---|
| Molecular Weight | 348.15076 g/mol |
| LogP | 3.59459 |
| Topological Polar Surface Area | 67.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 348.15076 |
| Monoisotopic Mass | 348.15076 |
| Heavy Atoms | 24 |
| Complexity | 763.0687 |
Chemical Identifiers
| CAS Number | 55342-48-8 |
|---|---|
| SMILES | CCOCC1=C(C(=O)NC(=S)N1)CC2=CC=C(C=C2)OCC(C)C |
Product Overview
AC1LXKCJ (CAS 55342-48-8), with molecular formula C18H24N2O3S and molecular weight 348.15076 g/mol. IUPAC: 6-(ethoxymethyl)-5-[[4-(2-methylpropoxy)phenyl]methyl]-2-sulfanylidene-1H-pyrimidin-4-one.
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