4-(4-Fluorophenyl)-8-methyl-1-thia-4-azaspiro[4.5]decan-3-one
Basic information
- CAS
578755-72-3- Standard SMILES
CC1CCC2(CC1)SCC(=O)N2c1ccc(F)cc1- InChIKey
WVLQKBOAWPOSCC-UHFFFAOYSA-N- Molecular formula
- C15H18FNOS
- Average molar mass
- 279.4 g/mol
- Monoisotopic mass
- 279.10931353
Names & identifiers
- Preferred name
- 4-(4-Fluorophenyl)-8-methyl-1-thia-4-azaspiro[4.5]decan-3-one
- IUPAC
- 4-(4-fluorophenyl)-8-methyl-1-thia-4-azaspiro[4.5]decan-3-one
Names & synonyms
4-(4-fluorophenyl)-8-methyl-1-thia-4-azaspiro[4.5]decan-3-one578755-72-3MLS000332988CHEMBL1734875DTXSID601327017HMS2802N121-(4-fluorophenyl)-8-methyl-4-thia-1-azaspiro[4.5]decan-2-oneSTL363722AKOS001665122SMR000436381ST093475EU-0014694
Show more names
SR-01000084252SR-01000084252-14-(4-Fluoro-phenyl)-8-methyl-1-thia-4-aza-spiro[4.5]decan-3-one
Database identifiers
- CAS
578755-72-3- PubChem CID
- 753285
- DTXSID
DTXSID601327017- ChEMBL
CHEMBL1734875
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 346
Experimental & physicochemical properties
Solubility39.5 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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