Basic information
- CAS
353508-47-1- Standard SMILES
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)o3)c(=O)n2C1c1ccc(SC)cc1- InChIKey
DPBUSJIMHLOJHD-UHFFFAOYSA-N- Molecular formula
- C24H25N3O4S2
- Average molar mass
- 483.6 g/mol
Names & identifiers
- Preferred name
- ethyl 2-[[5-(dimethylamino)furan-2-yl]methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 2-[[5-(dimethylamino)furan-2-yl]methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- English name
- ethyl 2-{[5-(dimethylamino)-2-furyl]methylene}-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- Molecular formula
- C24H25N3O4S2
- Molecular weight
- 483.6
Names & synonyms
Oprea1_781305ethyl 2-{[5-(dimethylamino)-2-furyl]methylene}-7-methyl-5-[4-(methylsulfanyl)phenyl]-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-(dimethylamino)-2-furanyl]methylene]-2,3-dihydro-7-methyl-5-[4-(methylthio)phenyl]-3-oxo-, ethyl ester
Database identifiers
- CAS
353508-47-1
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 877
Physicochemical properties
- Boiling point
- 628 · 628.0±65.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 3.16 · 3.16±0.42(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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