4-[5-(3-Fluoro-4-methanesulfonyl-phenyl)-2,3-dihydro-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(C2Cc3cc(-c4ccc(S(C)(=O)=O)c(F)c4)ncc3O2)CC1- InChIKey
WKKMMLLXSZIHRR-UHFFFAOYSA-N- Molecular formula
- C24H29FN2O5S
- Average molar mass
- 476.6 g/mol
Names & identifiers
- Preferred name
- 4-[5-(3-Fluoro-4-methanesulfonyl-phenyl)-2,3-dihydro-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[5-(3-fluoro-4-methylsulfonylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL9974191WKKMMLLXSZIHRR-UHFFFAOYSA-N4-[5-(3-Fluoro-4-methanesulfonyl-phenyl)-2,3-dihydro-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 67990232
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 94.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 803
Related reactions
1 records
Compound notes
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