Basic information
- CAS
33345-73-2- Standard SMILES
COc1ccc(C2CC(C)=CCN2CCCC(=O)c2ccc(F)cc2)cc1.Cl- InChIKey
URULGKFQJTZPRC-UHFFFAOYSA-N- Molecular formula
- C23H27ClFNO2
- Average molar mass
- 403.9 g/mol
- Monoisotopic mass
- 403.171435
Names & identifiers
- Preferred name
- 1-Butanone, 4-(3,6-dihydro-2-(4-methoxyphenyl)-4-methyl-1(2H)-pyridinyl)-1-(4-fluorophenyl)-,hydrochloride
- IUPAC
- 1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)-4-methyl-3,6-dihydro-2H-pyridin-1-yl]butan-1-one;hydrochloride
Names & synonyms
33345-73-24'-Fluoro-4-(4-methyl-2-(4-methoxyphenyl)-1,2,3,6-tetrahydro-1-pyridyl)butyrophenone HCl1-Butanone, 4-(3,6-dihydro-2-(4-methoxyphenyl)-4-methyl-1(2H)-pyridinyl)-1-(4-fluorophenyl)-,hydrochlorideRefChem:228921DTXSID409549721-(4-Fluorophenyl)-4-[2-(4-methoxyphenyl)-4-methyl-3,6-dihydropyridin-1(2H)-yl]butan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
33345-73-2- PubChem CID
- 214524
- DTXSID
DTXSID40954972
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 505
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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