Basic information
- CAS
724454-18-6- Standard SMILES
CCCCC(CC)CNC(=O)CSC1=NC(=Cc2cccc(F)c2)C(=O)N1CC- InChIKey
NTWCGVQYDWUAMU-UHFFFAOYSA-N- Molecular formula
- C22H30FN3O2S
- Average molar mass
- 419.6 g/mol
- Monoisotopic mass
- 419.20427654
Names & identifiers
- Preferred name
- 2-[1-ethyl-4-[(3-fluorophenyl)methylidene]-5-oxoimidazol-2-yl]sulfanyl-N-(2-ethylhexyl)acetamide
- IUPAC
- 2-[1-ethyl-4-[(3-fluorophenyl)methylidene]-5-oxoimidazol-2-yl]sulfanyl-N-(2-ethylhexyl)acetamide
- English name
- 2-{[1-ethyl-4-(3-fluorobenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}-N-(2-ethylhexyl)acetamide
- Molecular formula
- C22H30FN3O2S
- Molecular weight
- 419.56
Names & synonyms
2-{[1-ethyl-4-(3-fluorobenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}-N-(2-ethylhexyl)acetamide
Database identifiers
- CAS
724454-18-6- PubChem CID
- 3445121
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 623
Physicochemical properties
- Density
- 1.168 · 1.168±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.282 · 14.282±0.46(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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