Basic information
- CAS
342592-29-4- Standard SMILES
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)ccc3OC)c(=O)n2C1c1ccccc1OCC- InChIKey
WRAFILZIMLFCKH-UHFFFAOYSA-N- Molecular formula
- C27H28N2O6S
- Average molar mass
- 508.6 g/mol
- Monoisotopic mass
- 508.16680779
Names & identifiers
- Preferred name
- ethyl 2-[(2,5-dimethoxyphenyl)methylidene]-5-(2-ethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 2-[(2,5-dimethoxyphenyl)methylidene]-5-(2-ethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- English name
- ethyl 2-(2,5-dimethoxybenzylidene)-5-(2-ethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- Molecular formula
- C27H28N2O6S
- Molecular weight
- 508.59
Names & synonyms
Oprea1_601204ethyl 2-(2,5-dimethoxybenzylidene)-5-(2-ethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Database identifiers
- CAS
342592-29-4- PubChem CID
- 3463552
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 931
Physicochemical properties
- Boiling point
- 638.433 · 638.433±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.275 · 1.275±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -4.21 · -4.210±0.70(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…