AC1N8IQQ
3-(3-bromo-1,2,4-triazol-1-yl)-N-(4-ethoxy-2-nitrophenyl)adamantane-1-carboxamide
Also Known As: AK-968/15604919|3-(3-bromo-1,2,4-triazol-1-yl)-N-(4-ethoxy-2-nitrophenyl)adamantane-1-carboxamide|3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-{4-ethoxy-2-nitrophenyl}-1-adamantanecarboxamide|3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(4-ethoxy-2-nitrophenyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide|3-(3-BROMO-1H-1,2,4-TRIAZOL-1-YL)-N~1~-(4-ETHOXY-2-NITROPHENYL)-1-ADAMANTANECARBOXAMIDE
| Molecular Formula | C21H24BrN5O4 |
|---|---|
| Molecular Weight | 489.10117 g/mol |
| LogP | 4.2817 |
| Topological Polar Surface Area | 112.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.10117 |
| Monoisotopic Mass | 489.10117 |
| Heavy Atoms | 31 |
| Complexity | 1040.1411 |
Chemical Identifiers
| CAS Number | 444930-85-2 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br)[N+](=O)[O-] |
Product Overview
AC1N8IQQ (CAS 444930-85-2), with molecular formula C21H24BrN5O4 and molecular weight 489.10117 g/mol. IUPAC: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(4-ethoxy-2-nitrophenyl)adamantane-1-carboxamide.
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