AC1MFJMW
[4-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperazin-1-yl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone
Also Known As: CBMicro_048433|Oprea1_419054|CCG-3363|BIM-0048497.P001|piperazine-1,4-diylbis{[4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenyl]methanone}|[4-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperazin-1-yl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone|4-(4-{4-[4-(3-HYDROXY-3-METHYLBUT-1-YN-1-YL)BENZOYL]PIPERAZINE-1-CARBONYL}PHENYL)-2-METHYLBUT-3-YN-2-OL
| Molecular Formula | C28H30N2O4 |
|---|---|
| Molecular Weight | 458.22055 g/mol |
| LogP | 2.5296 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 458.22055 |
| Monoisotopic Mass | 458.22055 |
| Heavy Atoms | 34 |
| Complexity | 1058.8679 |
Chemical Identifiers
| CAS Number | 438477-17-9 |
|---|---|
| SMILES | CC(C)(C#CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C#CC(C)(C)O)O |
Product Overview
AC1MFJMW (CAS 438477-17-9), with molecular formula C28H30N2O4 and molecular weight 458.22055 g/mol. IUPAC: [4-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperazin-1-yl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone.
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