Basic information
- CAS
354562-40-6- Standard SMILES
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(OCc4ccccc4F)c(Br)c3)c(=O)n2C1c1ccccc1- InChIKey
XIJSRYBKAYMYAY-UHFFFAOYSA-N- Molecular formula
- C30H23Br2FN2O4S
- Average molar mass
- 686.4 g/mol
Names & identifiers
- Preferred name
- ethyl 2-[[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 2-[[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- English name
- ethyl 2-{3,5-dibromo-4-[(2-fluorobenzyl)oxy]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- Molecular formula
- C30H23Br2FN2O4S
- Molecular weight
- 686.39
Names & synonyms
ethyl 2-{3,5-dibromo-4-[(2-fluorobenzyl)oxy]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Database identifiers
- CAS
354562-40-6
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,050
Physicochemical properties
- Boiling point
- 724.68 · 724.680±70.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.574 · 1.574±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -4.34 · -4.340±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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