5-[(3-Bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-3-(2-methoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one
Basic information
- CAS
491587-08-7- Standard SMILES
C#CCOc1c(Br)cc(C=C2SC(=Nc3ccccc3)N(CCOC)C2=O)cc1OCC- InChIKey
HJMMTZPJKMTGKB-UHFFFAOYSA-N- Molecular formula
- C24H23BrN2O4S
- Average molar mass
- 515.4 g/mol
- Monoisotopic mass
- 514.05619
Names & identifiers
- Preferred name
- 5-[(3-Bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-3-(2-methoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one
- IUPAC
- 5-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-3-(2-methoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one
- English name
- 5-[3-bromo-5-ethoxy-4-(2-propynyloxy)benzylidene]-3-(2-methoxyethyl)-2-(phenylimino)-1,3-thiazolidin-4-one
- Molecular formula
- C24H23BrN2O4S
- Molecular weight
- 515.42
Names & synonyms
5-({3-bromo-5-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-3-(2-methoxyethyl)-2-(phenylimino)-1,3-thiazolidin-4-one5-[3-bromo-5-ethoxy-4-(2-propynyloxy)benzylidene]-3-(2-methoxyethyl)-2-(phenylimino)-1,3-thiazolidin-4-one4-Thiazolidinone, 5-[[3-bromo-5-ethoxy-4-(2-propyn-1-yloxy)phenyl]methylene]-3-(2-methoxyethyl)-2-(phenylimino)-(2Z,5E)-5-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)benzylidene]-3-(2-methoxyethyl)-2-(phenylimino)-1,3-thiazolidin-4-one
Database identifiers
- CAS
491587-08-7- PubChem CID
- 3966702
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 85.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 744
Physicochemical properties
- Boiling point
- 618.1 · 618.1±65.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- -2.81 · -2.81±0.20(Predicted)
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