ethyl 5-(2-bromo-4,5-dimethoxyphenyl)-7-methyl-2-[(1-methylindol-3-yl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
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Basic information
- CAS
305870-38-6- Standard SMILES
CCOC(=O)C1=C(C)N=c2sc(=Cc3cn(C)c4ccccc34)c(=O)n2C1c1cc(OC)c(OC)cc1Br- InChIKey
GRZYTLKMZQTZGK-UHFFFAOYSA-N- Molecular formula
- C28H26BrN3O5S
- Average molar mass
- 596.5 g/mol
- Monoisotopic mass
- 595.07765
Names & identifiers
- Preferred name
- ethyl 5-(2-bromo-4,5-dimethoxyphenyl)-7-methyl-2-[(1-methylindol-3-yl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 5-(2-bromo-4,5-dimethoxyphenyl)-7-methyl-2-[(1-methylindol-3-yl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- English name
- ethyl 5-(2-bromo-4,5-dimethoxyphenyl)-7-methyl-2-[(1-methyl-1H-indol-3-yl)methylene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- Molecular formula
- C28H26BrN3O5S
- Molecular weight
- 596.49
Names & synonyms
Oprea1_531511ethyl 5-(2-bromo-4,5-dimethoxyphenyl)-7-methyl-2-[(1-methyl-1H-indol-3-yl)methylene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Database identifiers
- CAS
305870-38-6- PubChem CID
- 4683170
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,050
Physicochemical properties
- Boiling point
- 687.997 · 687.997±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.48 · 1.480±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -4.922 · -4.922±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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