Basic information
- Standard SMILES
COc1ccc(C(F)(F)F)cc1N1CCN(CCC(C(=O)N2C3CCCC2CC3)c2ccccc2)CC1- InChIKey
UYYVOOAHFWDDNQ-UHFFFAOYSA-N- Molecular formula
- C29H36F3N3O2
- Average molar mass
- 515.6 g/mol
Names & identifiers
- Preferred name
- 1-(8-Aza-bicyclo[3.2.1]oct-8-yl)-4-[4-(2-methoxy-5-trifluoromethyl-phenyl)-piperazin-1-yl]-2-phenyl-butan-1-one
- IUPAC
- 1-(8-azabicyclo[3.2.1]octan-8-yl)-4-[4-[2-methoxy-5-(trifluoromethyl)phenyl]piperazin-1-yl]-2-phenylbutan-1-one
Names & synonyms
SCHEMBL74518441-(8-Aza-bicyclo[3.2.1]oct-8-yl)-4-[4-(2-methoxy-5-trifluoromethyl- phenyl)-piperazin-1-yl]-2-phenyl-butan-1-one1-(8-Aza-bicyclo[3.2.1]oct-8-yl)-4-[4-(2-methoxy-5-trifluoromethyl-phenyl)-piperazin-1-yl]-2-phenyl-butan-1-one
Database identifiers
- PubChem CID
- 19968352
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 36 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 739
Related reactions
2 records
Compound notes
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