Basic information
- CAS
354784-59-1- Standard SMILES
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc4ccccc4n3Cc3ccccc3)c(=O)n2C1c1ccccc1- InChIKey
RULFNTZLHBHLOS-UHFFFAOYSA-N- Molecular formula
- C32H27N3O3S
- Average molar mass
- 533.6 g/mol
Names & identifiers
- Preferred name
- ethyl 2-[(1-benzylindol-2-yl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 2-[(1-benzylindol-2-yl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- English name
- ethyl 2-[(1-benzyl-1H-indol-2-yl)methylene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- Molecular formula
- C32H27N3O3S
- Molecular weight
- 533.64
Names & synonyms
Oprea1_877575ethyl 2-[(1-benzyl-1H-indol-2-yl)methylene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Database identifiers
- CAS
354784-59-1
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 89.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,040
Physicochemical properties
- Boiling point
- 715.202 · 715.202±70.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.283 · 1.283±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -4.319 · -4.319±0.70(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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