ethyl 2-[(2,5-dimethoxyphenyl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
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Basic information
- CAS
331639-68-0- Standard SMILES
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)ccc3OC)c(=O)n2C1c1ccc(OC)cc1- InChIKey
FAYGXGQBBXMQOU-UHFFFAOYSA-N- Molecular formula
- C26H26N2O6S
- Average molar mass
- 494.6 g/mol
- Monoisotopic mass
- 494.15115773
Names & identifiers
- Preferred name
- ethyl 2-[(2,5-dimethoxyphenyl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 2-[(2,5-dimethoxyphenyl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- English name
- ethyl 2-(2,5-dimethoxybenzylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- Molecular formula
- C26H26N2O6S
- Molecular weight
- 494.56
Names & synonyms
Oprea1_258949Oprea1_638493SCHEMBL4669063AKOS034472669ethyl 2-(2,5-dimethoxybenzylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Database identifiers
- CAS
331639-68-0- PubChem CID
- 2858596
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 908
Physicochemical properties
- Boiling point
- 638.998 · 638.998±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.292 · 1.292±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -4.212 · -4.212±0.70(predicted)
Related reactions
0 records
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Compound notes
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