Basic information
- CAS
443875-24-9- Standard SMILES
CCOc1ccc(N=C2SC(=Cc3ccc(O)c(OC)c3)C(=O)N2CC)cc1- InChIKey
OARSSHIABCUFFX-UHFFFAOYSA-N- Molecular formula
- C21H22N2O4S
- Average molar mass
- 398.5 g/mol
Names & identifiers
- Preferred name
- 2-(4-Ethoxyphenyl)imino-3-ethyl-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
- IUPAC
- 2-(4-ethoxyphenyl)imino-3-ethyl-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
- English name
- 2-[(4-ethoxyphenyl)imino]-3-ethyl-5-(4-hydroxy-3-methoxybenzylidene)-1,3-thiazolidin-4-one
- Molecular formula
- C21H22N2O4S
- Molecular weight
- 398.48
Names & synonyms
2-[(4-ethoxyphenyl)imino]-3-ethyl-5-(4-hydroxy-3-methoxybenzylidene)-1,3-thiazolidin-4-one4-Thiazolidinone, 2-[(4-ethoxyphenyl)imino]-3-ethyl-5-[(4-hydroxy-3-methoxyphenyl)methylene]-
Database identifiers
- CAS
443875-24-9
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 96.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 601
Physicochemical properties
- Boiling point
- 565.5 · 565.5±60.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 9.1 · 9.10±0.35(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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