Basic information
- Standard SMILES
CSc1ccc(COC[C@@H]2C[C@@H]2C2CCN(C(=O)OC(C)(C)C)CC2)cc1F- InChIKey
YRZAFLBHABTXOJ-ZWKOTPCHSA-N- Molecular formula
- C22H32FNO3S
- Average molar mass
- 409.6 g/mol
Names & identifiers
- Preferred name
- tert-butyl 4-((1R,2R)-2-(((3-fluoro-4-(methylthio)benzyl)oxy)methyl)cyclopropyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[(1R,2R)-2-[(3-fluoro-4-methylsulfanylphenyl)methoxymethyl]cyclopropyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL14317501YRZAFLBHABTXOJ-ZWKOTPCHSA-Ntert-butyl 4-((1R,2R)-2-(((3-fluoro-4-(methylthio)benzyl)oxy)methyl)cyclopropyl)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 71136854
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 518
Related reactions
1 records
Compound notes
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