AC1N5C71
1-adamantyl-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
Also Known As: F0630-1846|(3r,5r,7r)-adamantan-1-yl(2-((3-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone|1-(adamantane-1-carbonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole|1-adamantyl-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone|(1-adamantanyl){2-[(m-nitrophenyl)methylthio]-2-imidazolin-1-yl}methanone
CAS: 851808-45-2
| Molecular Formula | C21H25N3O3S |
|---|---|
| Molecular Weight | 399.16165 g/mol |
| LogP | 4.2426 |
| Topological Polar Surface Area | 75.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.16165 |
| Monoisotopic Mass | 399.16165 |
| Heavy Atoms | 28 |
| Complexity | 817.76825 |
Chemical Identifiers
| CAS Number | 851808-45-2 |
|---|---|
| SMILES | C1CN(C(=N1)SCC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
AC1N5C71 (CAS 851808-45-2), with molecular formula C21H25N3O3S and molecular weight 399.16165 g/mol. IUPAC: 1-adamantyl-[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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