Ethyl 2-[5-[3-(4-methoxyphenyl)prop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
Basic information
- CAS
444781-25-3- Standard SMILES
CCOC(=O)C(C)N1C(=O)SC(=CC=Cc2ccc(OC)cc2)C1=O- InChIKey
GDUXHGKJZHGBMX-UHFFFAOYSA-N- Molecular formula
- C18H19NO5S
- Average molar mass
- 361.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-[5-[3-(4-methoxyphenyl)prop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
- IUPAC
- ethyl 2-[5-[3-(4-methoxyphenyl)prop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
- English name
- ethyl 2-{5-[3-(4-methoxyphenyl)-2-propenylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate
- Molecular formula
- C18H19NO5S
- Molecular weight
- 361.41
Names & synonyms
ethyl 2-{5-[3-(4-methoxyphenyl)-2-propenylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate
Database identifiers
- CAS
444781-25-3
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 578
Physicochemical properties
- Boiling point
- 518.602 · 518.602±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.334 · 1.334±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -2.955 · -2.955±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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