ethyl 2-[[5-(diethylamino)furan-2-yl]methylidene]-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Basic information
- CAS
354789-08-5- Standard SMILES
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)o3)c(=O)n2C1c1cc(OC)ccc1OC- InChIKey
MUGPFXMYOJNGBA-UHFFFAOYSA-N- Molecular formula
- C27H31N3O6S
- Average molar mass
- 525.6 g/mol
Names & identifiers
- Preferred name
- ethyl 2-[[5-(diethylamino)furan-2-yl]methylidene]-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 2-[[5-(diethylamino)furan-2-yl]methylidene]-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- English name
- ethyl 2-{[5-(diethylamino)-2-furyl]methylene}-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- Molecular formula
- C27H31N3O6S
- Molecular weight
- 525.62
Names & synonyms
CDS1_001982ChemDiv1_008382Oprea1_125180DivK1c_003022ethyl 2-{[5-(diethylamino)-2-furyl]methylene}-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2-[[5-(diethylamino)-2-furanyl]methylene]-5-(2,5-dimethoxyphenyl)-2,3-dihydro-7-methyl-3-oxo-, ethyl ester
Database identifiers
- CAS
354789-08-5
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 962
Physicochemical properties
- Boiling point
- 647.7 · 647.7±65.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 4.73 · 4.73±0.50(Predicted)
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Compound notes
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