AC1NKSH5
dimethyl 1-[2-(1-adamantyl)ethyl]-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
Also Known As: A3564/0151179|3,5-Dimethyl 4-(3-fluorophenyl)-1,4-dihydro-1-(2-tricyclo[3.3.1.13,7]dec-1-ylethyl)-3,5-pyridinedicarboxylate|dimethyl 1-[2-(1-adamantyl)ethyl]-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylate|3,5-DIMETHYL 1-[2-(ADAMANTAN-1-YL)ETHYL]-4-(3-FLUOROPHENYL)-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE|dimethyl 1-[2-(1-adamantyl)ethyl]-4-(3-fluorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate|dimethyl 4-(3-fluorophenyl)-1-[2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C27H32FNO4 |
|---|---|
| Molecular Weight | 453.23154 g/mol |
| LogP | 4.9452 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.23154 |
| Monoisotopic Mass | 453.23154 |
| Heavy Atoms | 33 |
| Complexity | 943.8444 |
Chemical Identifiers
| CAS Number | 696604-00-9 |
|---|---|
| SMILES | COC(=O)C1=CN(C=C(C1C2=CC(=CC=C2)F)C(=O)OC)CCC34CC5CC(C3)CC(C5)C4 |
Product Overview
AC1NKSH5 (CAS 696604-00-9), with molecular formula C27H32FNO4 and molecular weight 453.23154 g/mol. IUPAC: dimethyl 1-[2-(1-adamantyl)ethyl]-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylate.
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