Basic information
- Standard SMILES
CCCCCC12CCC(c3ccc(-c4ncc(OCc5ccccc5)cn4)cc3)(CC1)CC2- InChIKey
WKOSHCMQKPUJHF-UHFFFAOYSA-N- Molecular formula
- C30H36N2O
- Average molar mass
- 440.6 g/mol
Names & identifiers
- Preferred name
- 1-[4-(5-Benzyloxypyrimidin-2-yl) phenyl]-4-pentylbicyclo[2.2.2]octane
- IUPAC
- 2-[4-(4-pentyl-1-bicyclo[2.2.2]octanyl)phenyl]-5-phenylmethoxypyrimidine
Names & synonyms
SCHEMBL7029166WKOSHCMQKPUJHF-UHFFFAOYSA-N1-[4-(5-benzyloxypyrimidin-2-yl) phenyl]-4-pentylbicyclo[2.2.2]octane
Database identifiers
- PubChem CID
- 69964759
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 560
Related reactions
2 records
Compound notes
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