ethyl 2-[(2,3-dimethoxyphenyl)methylidene]-5-(4-fluorophenyl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
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Basic information
- CAS
354791-31-4- Standard SMILES
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cccc(OC)c3OC)c(=O)n2C1c1ccc(F)cc1- InChIKey
PWZWEWWCVOBXSX-UHFFFAOYSA-N- Molecular formula
- C30H25FN2O5S
- Average molar mass
- 544.6 g/mol
- Monoisotopic mass
- 544.14682124
Names & identifiers
- Preferred name
- ethyl 2-[(2,3-dimethoxyphenyl)methylidene]-5-(4-fluorophenyl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 2-[(2,3-dimethoxyphenyl)methylidene]-5-(4-fluorophenyl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- English name
- ethyl 2-(2,3-dimethoxybenzylidene)-5-(4-fluorophenyl)-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- Molecular formula
- C30H25FN2O5S
- Molecular weight
- 544.59
Names & synonyms
Oprea1_754963ethyl 2-(2,3-dimethoxybenzylidene)-5-(4-fluorophenyl)-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2-[(2,3-dimethoxyphenyl)methylene]-5-(4-fluorophenyl)-2,3-dihydro-3-oxo-7-phenyl-, ethyl ester
Database identifiers
- CAS
354791-31-4- PubChem CID
- 4424060
Properties
Computed structural propertiesFilling in
- XLogP
- 5.8
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,010
Physicochemical properties
- Boiling point
- 673.9 · 673.9±65.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- -4.77 · -4.77±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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