Basic information
- Standard SMILES
COc1c(Cl)c(C)c(C(C)=O)c(OCCN2CC(F)(F)C2)c1OCCCc1ccccc1- InChIKey
TUEIEJCESFKYPU-UHFFFAOYSA-N- Molecular formula
- C24H28ClF2NO4
- Average molar mass
- 467.9 g/mol
Names & identifiers
- Preferred name
- 1-[3-Chloro-6-[2-(3,3-difluoro-azetidin-1-yl)-ethoxy]-4-methoxy-2-methyl-5-(3-phenyl-propoxy)-phenyl]-ethanone
- IUPAC
- 1-[5-chloro-2-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-4-methoxy-6-methyl-3-(3-phenylpropoxy)phenyl]ethanone
Names & synonyms
1-[3-Chloro-6-[2-(3,3-difluoro-azetidin-1-yl)-ethoxy]-4-methoxy-2-methyl-5-(3-phenyl-propoxy)-phenyl]-ethanoneSCHEMBL3752050
Database identifiers
- PubChem CID
- 25254523
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 597
Related reactions
2 records
Compound notes
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