Basic information
- CAS
696604-00-9- Standard SMILES
COC(=O)C1=CN(CCC23CC4CC(CC(C4)C2)C3)C=C(C(=O)OC)C1c1cccc(F)c1- InChIKey
JKGAOSBRWJVCNQ-UHFFFAOYSA-N- Molecular formula
- C27H32FNO4
- Average molar mass
- 453.5 g/mol
- Monoisotopic mass
- 453.23153666
Names & identifiers
- Preferred name
- dimethyl 1-[2-(1-adamantyl)ethyl]-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
- IUPAC
- dimethyl 1-[2-(1-adamantyl)ethyl]-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
Names & synonyms
696604-00-93,5-Dimethyl 4-(3-fluorophenyl)-1,4-dihydro-1-(2-tricyclo[3.3.1.13,7]dec-1-ylethyl)-3,5-pyridinedicarboxylateDTXSID401109029STK777314AKOS001742987dimethyl 1-[2-(1-adamantyl)ethyl]-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylatedimethyl 1-[2-(1-adamantyl)ethyl]-4-(3-fluorophenyl)-1,4-dihydropyridine-3,5-dicarboxylatedimethyl 1-[2-(adamantan-1-yl)ethyl]-4-(3-fluorophenyl)-1,4-dihydropyridine-3,5-dicarboxylatedimethyl 4-(3-fluorophenyl)-1-[2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1,4-dihydropyridine-3,5-dicarboxylate
Database identifiers
- CAS
696604-00-9- PubChem CID
- 4918436
- DTXSID
DTXSID401109029
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 774
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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