Oprea1_624160
[4-(acetyloxymethyl)-1,6-diethyl-2,5-dioxo-3a,6a-dihydroimidazo[4,5-d]imidazol-3-yl]methyl acetate
Also Known As: Oprea1_624160|Oprea1_834121|BAS 03376604|(3,4-diethyl-2,5-dioxohexahydroimidazo[4,5-d]imidazole-1,6-diyl)dimethanediyl diacetate|(3,4-diethyl-2,5-dioxotetrahydroimidazo[4,5-d]imidazole-1,6(2H,6aH)-diyl)bis(methylene) diacetate|[4-(acetyloxymethyl)-1,6-diethyl-2,5-dioxo-3a,6a-dihydroimidazo[4,5-d]imidazol-3-yl]methyl acetate
| Molecular Formula | C14H22N4O6 |
|---|---|
| Molecular Weight | 342.15393 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 99.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 342.15393 |
| Monoisotopic Mass | 342.15393 |
| Heavy Atoms | 24 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 401648-70-2 |
|---|---|
| SMILES | CCN1C2C(N(C1=O)COC(=O)C)N(C(=O)N2CC)COC(=O)C |
| InChIKey | IXWMNGRLIVMPHW-UHFFFAOYSA-N |
Product Overview
Oprea1_624160 (CAS 401648-70-2), with molecular formula C14H22N4O6 and molecular weight 342.15393 g/mol. IUPAC: [4-(acetyloxymethyl)-1,6-diethyl-2,5-dioxo-3a,6a-dihydroimidazo[4,5-d]imidazol-3-yl]methyl acetate.
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