ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-5-(2-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
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Basic information
- CAS
354560-73-9- Standard SMILES
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc4c(c3)OCCO4)c(=O)n2C1c1ccccc1OC- InChIKey
YCQANVWCWBEENL-UHFFFAOYSA-N- Molecular formula
- C26H24N2O6S
- Average molar mass
- 492.5 g/mol
- Monoisotopic mass
- 492.13550766
Names & identifiers
- Preferred name
- ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-5-(2-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-5-(2-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- English name
- ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)-5-(2-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- Molecular formula
- C26H24N2O6S
- Molecular weight
- 492.55
Names & synonyms
Oprea1_715200ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)-5-(2-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Database identifiers
- CAS
354560-73-9- PubChem CID
- 4174243
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 946
Physicochemical properties
- Boiling point
- 628.904 · 628.904±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.384 · 1.384±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -4.207 · -4.207±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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