Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
O=C(C[N+]12CCC(CC1)C(OC(=O)C1(c3ccccc3)CCCCCC1)C2)Nc1ccc(C(F)(F)F)nn1- InChIKey
IZCYOTUDBSSMCK-UHFFFAOYSA-O- Molecular formula
- C28H34F3N4O3+
- Average molar mass
- 531.6 g/mol
Names & identifiers
- Preferred name
- [1-[2-Oxo-2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 1-phenylcycloheptane-1-carboxylate
- IUPAC
- [1-[2-oxo-2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 1-phenylcycloheptane-1-carboxylate
Database identifiers
- PubChem CID
- 76007362
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 1
- Complexity
- 832
Related reactions
1 records
Compound notes
Loading…