AC1NPONQ
3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]adamantane-1-carboxamide
Also Known As: AK-968/40732068|3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]adamantane-1-carboxamide|3-{5-bromo-3-nitro-1H-1,2,4-triazol-1-yl}-N-[4-(4-morpholinylcarbonyl)phenyl]-1-adamantanecarboxamide|3-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-[4-(morpholin-4-ylcarbonyl)phenyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide|3-(5-BROMO-3-NITRO-1H-1,2,4-TRIAZOL-1-YL)-N~1~-[4-(MORPHOLINOCARBONYL)PHENYL]-1-ADAMANTANECARBOXAMIDE
| Molecular Formula | C24H27BrN6O5 |
|---|---|
| Molecular Weight | 558.1226 g/mol |
| LogP | 3.3554 |
| Topological Polar Surface Area | 132.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 558.1226 |
| Monoisotopic Mass | 558.1226 |
| Heavy Atoms | 36 |
| Complexity | 1210.0854 |
Chemical Identifiers
| CAS Number | 445017-73-2 |
|---|---|
| SMILES | C1COCCN1C(=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)N6C(=NC(=N6)[N+](=O)[O-])Br |
Product Overview
AC1NPONQ (CAS 445017-73-2), with molecular formula C24H27BrN6O5 and molecular weight 558.1226 g/mol. IUPAC: 3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]adamantane-1-carboxamide.