1-{3-Chloro-6-[2-(3,3-difluoro-piperidin-1-yl)-ethoxy]-5-[3-(4-fluoro-phenyl)-butoxy]-4-methoxy-2-methyl-phenyl}-ethanone
Basic information
- Standard SMILES
COc1c(Cl)c(C)c(C(C)=O)c(OCCN2CCCC(F)(F)C2)c1OCCC(C)c1ccc(F)cc1- InChIKey
KBCOVKKZKQHXKQ-UHFFFAOYSA-N- Molecular formula
- C27H33ClF3NO4
- Average molar mass
- 528 g/mol
Names & identifiers
- Preferred name
- 1-{3-Chloro-6-[2-(3,3-difluoro-piperidin-1-yl)-ethoxy]-5-[3-(4-fluoro-phenyl)-butoxy]-4-methoxy-2-methyl-phenyl}-ethanone
- IUPAC
- 1-[5-chloro-2-[2-(3,3-difluoropiperidin-1-yl)ethoxy]-3-[3-(4-fluorophenyl)butoxy]-4-methoxy-6-methylphenyl]ethanone
Names & synonyms
1-{3-Chloro-6-[2-(3,3-difluoro-piperidin-1-yl)-ethoxy]-5-[3-(4-fluoro-phenyl)-butoxy]-4-methoxy-2-methyl-phenyl}-ethanoneSCHEMBL3391156
Database identifiers
- PubChem CID
- 25254841
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 694
Related reactions
2 records
Compound notes
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