N-(4-ethylphenyl)-3-(trifluoromethyl)piperidine-1-carbothioamide
Basic information
- CAS
795286-94-1- Standard SMILES
CCc1ccc(NC(=S)N2CCCC(C(F)(F)F)C2)cc1- InChIKey
OWUGSHDIBBZUSL-UHFFFAOYSA-N- Molecular formula
- C15H19F3N2S
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.12210427
Names & identifiers
- Preferred name
- N-(4-ethylphenyl)-3-(trifluoromethyl)piperidine-1-carbothioamide
- IUPAC
- N-(4-ethylphenyl)-3-(trifluoromethyl)piperidine-1-carbothioamide
Names & synonyms
N-(4-ethylphenyl)-3-(trifluoromethyl)piperidine-1-carbothioamideMLS000770182CHEMBL1365067DTXSID301333586HMS2679N04AKOS000946800795286-94-1SMR000343618Z45907724
Database identifiers
- CAS
795286-94-1- PubChem CID
- 4836074
- DTXSID
DTXSID301333586- ChEMBL
CHEMBL1365067
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 351
Experimental & physicochemical properties
Solubility6.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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