Basic information
- CAS
306942-68-7- Standard SMILES
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2C1c1ccc(F)cc1- InChIKey
YUIZUAVGNNIZDO-UHFFFAOYSA-N- Molecular formula
- C28H22FN3O6S
- Average molar mass
- 547.6 g/mol
Names & identifiers
- Preferred name
- ethyl 5-(4-fluorophenyl)-7-methyl-2-[[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 5-(4-fluorophenyl)-7-methyl-2-[[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- English name
- ethyl 5-(4-fluorophenyl)-2-[(5-{3-nitro-4-methylphenyl}-2-furyl)methylene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- Molecular formula
- C28H22FN3O6S
- Molecular weight
- 547.55
Names & synonyms
Oprea1_265938ethyl 5-(4-fluorophenyl)-2-[(5-{3-nitro-4-methylphenyl}-2-furyl)methylene]-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, 5-(4-fluorophenyl)-2,3-dihydro-7-methyl-2-[[5-(4-methyl-3-nitrophenyl)-2-furanyl]methylene]-3-oxo-, ethyl ester
Database identifiers
- CAS
306942-68-7
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,100
Physicochemical properties
- Boiling point
- 675.3 · 675.3±65.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- -4.56 · -4.56±0.70(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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