Basic information
- Standard SMILES
CCOC(=O)N1CC2C=C(c3cncc(-c4ccccc4)c3)CC(C2)C1- InChIKey
OHGAMVHJXGTPIW-UHFFFAOYSA-N- Molecular formula
- C22H24N2O2
- Average molar mass
- 348.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 7-(5-phenyl-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene-3-carboxylate
- IUPAC
- ethyl 7-(5-phenyl-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene-3-carboxylate
Names & synonyms
SCHEMBL2081537SCHEMBL2081540OHGAMVHJXGTPIW-UHFFFAOYSA-Nethyl 7-(5-phenyl-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene-3-carboxylate
Database identifiers
- PubChem CID
- 57486353
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 526
Related reactions
3 records
Compound notes
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