Basic information
- CAS
496768-26-4- Standard SMILES
COCCN1C(=O)C(=Cc2cc(Cl)c(OCc3ccccc3)c(OC)c2)SC1=Nc1ccccc1- InChIKey
INYVRIUTAXZTLF-UHFFFAOYSA-N- Molecular formula
- C27H25ClN2O4S
- Average molar mass
- 509 g/mol
Names & identifiers
- Preferred name
- 5-[(3-Chloro-5-methoxy-4-phenylmethoxyphenyl)methylidene]-3-(2-methoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one
- IUPAC
- 5-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylidene]-3-(2-methoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one
- English name
- 5-[4-(benzyloxy)-3-chloro-5-methoxybenzylidene]-3-(2-methoxyethyl)-2-(phenylimino)-1,3-thiazolidin-4-one
- Molecular formula
- C27H25ClN2O4S
- Molecular weight
- 509.02
Names & synonyms
5-[4-(benzyloxy)-3-chloro-5-methoxybenzylidene]-3-(2-methoxyethyl)-2-(phenylimino)-1,3-thiazolidin-4-one4-Thiazolidinone, 5-[[3-chloro-5-methoxy-4-(phenylmethoxy)phenyl]methylene]-3-(2-methoxyethyl)-2-(phenylimino)-(2Z,5E)-5-[4-(benzyloxy)-3-chloro-5-methoxybenzylidene]-3-(2-methoxyethyl)-2-(phenylimino)-1,3-thiazolidin-4-one
Database identifiers
- CAS
496768-26-4
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 85.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 751
Physicochemical properties
- Boiling point
- 651.3 · 651.3±65.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- -2.81 · -2.81±0.20(Predicted)
Chemistry & industry
Suppliers2 total
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…