1-{3-Chloro-6-[2-(3,3-difluoro-piperidin-1-yl)-ethoxy]-5-[3-(4-fluoro-phenyl)-butoxy]-4-methoxy-2-methyl-phenyl}-ethanone

HCID 25254841
Substructure searchFind similar structures

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

Related reactions

2 records
New reaction record

Linked notes

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