Basic information
- CAS
724454-03-9- Standard SMILES
COc1ccc(C=C2NC(=S)N(C)C2=O)cc1COc1ccc(F)cc1- InChIKey
DLDNJNDRMJYYPN-UHFFFAOYSA-N- Molecular formula
- C19H17FN2O3S
- Average molar mass
- 372.4 g/mol
- Monoisotopic mass
- 372.09439174
Names & identifiers
- Preferred name
- 5-[[3-[(4-Fluorophenoxy)methyl]-4-methoxyphenyl]methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
- IUPAC
- 5-[[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
- English name
- 5-{3-[(4-fluorophenoxy)methyl]-4-methoxybenzylidene}-3-methyl-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
- Molecular formula
- C19H17FN2O3S
- Molecular weight
- 372.42
Names & synonyms
5-{3-[(4-fluorophenoxy)methyl]-4-methoxybenzylidene}-3-methyl-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
Database identifiers
- CAS
724454-03-9- PubChem CID
- 980475
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 82.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 563
Physicochemical properties
- Boiling point
- 515.835 · 515.835±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.374 · 1.374±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.421 · 10.421±0.20(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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