Basic information
- CAS
340320-61-8- Standard SMILES
CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(F)c3)c(=O)n2C1c1cccc(OC)c1- InChIKey
ZSTACHGTOOUKEL-UHFFFAOYSA-N- Molecular formula
- C24H21FN2O4S
- Average molar mass
- 452.5 g/mol
- Monoisotopic mass
- 452.12060649
Names & identifiers
- Preferred name
- ethyl 2-[(3-fluorophenyl)methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 2-[(3-fluorophenyl)methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- English name
- ethyl 2-(3-fluorobenzylidene)-5-(3-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- Molecular formula
- C24H21FN2O4S
- Molecular weight
- 452.5
Names & synonyms
Oprea1_018027ethyl 2-(3-fluorobenzylidene)-5-(3-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Database identifiers
- CAS
340320-61-8- PubChem CID
- 3981698
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 855
Physicochemical properties
- Boiling point
- 576.633 · 576.633±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.322 · 1.322±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -4.194 · -4.194±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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