ethyl 2-[(2,4-dimethoxyphenyl)methylidene]-5-(3-ethoxy-4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
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Basic information
- CAS
496928-09-7- Standard SMILES
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)cc3OC)c(=O)n2C1c1ccc(OC)c(OCC)c1- InChIKey
CSWOWSWSGKQXCN-UHFFFAOYSA-N- Molecular formula
- C28H30N2O7S
- Average molar mass
- 538.6 g/mol
Names & identifiers
- Preferred name
- ethyl 2-[(2,4-dimethoxyphenyl)methylidene]-5-(3-ethoxy-4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 2-[(2,4-dimethoxyphenyl)methylidene]-5-(3-ethoxy-4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- English name
- ethyl 2-(2,4-dimethoxybenzylidene)-5-(3-ethoxy-4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- Molecular formula
- C28H30N2O7S
- Molecular weight
- 538.61
Names & synonyms
ethyl 2-(2,4-dimethoxybenzylidene)-5-(3-ethoxy-4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Database identifiers
- CAS
496928-09-7
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 980
Physicochemical properties
- Boiling point
- 666.479 · 666.479±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.281 · 1.281±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -4.45 · -4.450±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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