Basic information
- CAS
23771-12-2- Standard SMILES
COc1cc(C(=O)CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(OC)c1OC.[Cl-]- InChIKey
FUIIBZZLIMCDIH-UHFFFAOYSA-N- Molecular formula
- C24H30ClF3N2O4
- Average molar mass
- 503 g/mol
- Monoisotopic mass
- 502.1846196
Names & identifiers
- Preferred name
- Butyrophenone, 3',4',5'-trimethoxy-4-(4-(alpha,alpha,alpha-trifluoro-m-tolyl)-1-piperazinyl)-, monohydrochloride
- IUPAC
- 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one chloride
Names & synonyms
23771-12-2Butyrophenone, 3',4',5'-trimethoxy-4-(4-(alpha,alpha,alpha-trifluoro-m-tolyl)-1-piperazinyl)-, monohydrochlorideRefChem:331377
Database identifiers
- CAS
23771-12-2- PubChem CID
- 32074
Properties
Computed structural properties
- Topological polar surface area
- 52.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 599
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…