AC1NKSH5 structure

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

CAS: 696604-00-9
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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