RefChem:1083263
bis(1-adamantyl) 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: NCI60_034212|3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, bis(tricyclo(3.3.1.1(sup 3,7))dec-1-yl ester|bis(1-adamantyl) 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate|1-Adamanthyl 4-(2-difluoromethoxyphenyl)-2,4-dihydropyridine-3,5-dicarboxylate|Di(1-adamantyl) 4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate|Di(adamantan-1-yl) 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate|Diadamantan-1-yl 4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate|Diadamantan-1-yl 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C36H43F2NO5 |
|---|---|
| Molecular Weight | 607.3109 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 607.3109 |
| Monoisotopic Mass | 607.3109 |
| Heavy Atoms | 44 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 94609-90-2 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5OC(F)F)C(=O)OC67CC8CC(C6)CC(C8)C7 |
| InChIKey | JPKRBGMUYHFBAA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:1083263 (CAS 94609-90-2), with molecular formula C36H43F2NO5 and molecular weight 607.3109 g/mol. IUPAC: bis(1-adamantyl) 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
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