Basic information
- CAS
94609-90-2- Standard SMILES
CC1=C(C(=O)OC23CC4CC(CC(C4)C2)C3)C(c2ccccc2OC(F)F)C(C(=O)OC23CC4CC(CC(C4)C2)C3)=C(C)N1- InChIKey
JPKRBGMUYHFBAA-UHFFFAOYSA-N- Molecular formula
- C36H43F2NO5
- Average molar mass
- 607.7 g/mol
- Monoisotopic mass
- 607.3109298
Names & identifiers
- Preferred name
- Diadamantan-1-yl 4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- IUPAC
- bis(1-adamantyl) 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
94609-90-2DTXSID20915400Diadamantan-1-yl 4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylateDiadamantan-1-yl 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylateRefChem:1083263DTXCID701344375BRN 6034537NSC6956373,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, bis(tricyclo(3.3.1.1(sup 3,7))dec-1-yl esterbis(1-adamantyl) 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylateCHEMBL1991411SCHEMBL11032809
Show more names
JPKRBGMUYHFBAA-UHFFFAOYSA-NNSC-695637NCI60_0342121-Adamanthyl 4-(2-difluoromethoxyphenyl)-2,4-dihydropyridine-3,5-dicarboxylateDi(1-adamantyl) 4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylateDi(adamantan-1-yl) 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Database identifiers
- CAS
94609-90-2
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,110
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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