Basic information
- CAS
23771-09-7- Standard SMILES
COc1cc(C(=O)CCC[NH+]2CCN(c3cccc(F)c3)CC2)cc(OC)c1OC.[Cl-]- InChIKey
KNWPVTLLVAKQAN-UHFFFAOYSA-N- Molecular formula
- C23H30ClFN2O4
- Average molar mass
- 452.9 g/mol
- Monoisotopic mass
- 452.1878133
Names & identifiers
- Preferred name
- Butyrophenone, 4-(4-(m-fluorophenyl)-1-piperazinyl)-3',4',5'-trimethoxy-, monohydrochloride
- IUPAC
- 4-[4-(3-fluorophenyl)piperazin-1-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one chloride
Names & synonyms
Butyrophenone, 4-(4-(m-fluorophenyl)-1-piperazinyl)-3',4',5'-trimethoxy-, monohydrochloride4-(4-(m-Fluorophenyl)-1-piperazinyl)-3',4',5'-trimethoxy-butyrophenone monohydrochloride23771-09-7RefChem:331455
Database identifiers
- CAS
23771-09-7- PubChem CID
- 32070
Properties
Computed structural properties
- Topological polar surface area
- 52.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 515
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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