Basic information
- CAS
665007-12-5- Standard SMILES
CCOc1ccc(C=C2SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(OCC)c1- InChIKey
ISKHGLQXFPLQJS-UHFFFAOYSA-N- Molecular formula
- C21H26N2O5S
- Average molar mass
- 418.5 g/mol
- Monoisotopic mass
- 418.15624311
Names & identifiers
- Preferred name
- 5-[(2,4-Diethoxyphenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
- IUPAC
- 5-[(2,4-diethoxyphenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
- English name
- 5-(2,4-diethoxybenzylidene)-3-[2-oxo-2-(1-piperidinyl)ethyl]-1,3-thiazolidine-2,4-dione
- Molecular formula
- C21H26N2O5S
- Molecular weight
- 418.51
Names & synonyms
5-(2,4-diethoxybenzylidene)-3-[2-oxo-2-(1-piperidinyl)ethyl]-1,3-thiazolidine-2,4-dione
Database identifiers
- CAS
665007-12-5- PubChem CID
- 4200060
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 647
Physicochemical properties
- Boiling point
- 617.239 · 617.239±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.284 · 1.284±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.898 · 1.898±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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