ethyl 5-(2,5-dimethoxyphenyl)-3-oxo-7-propyl-2-(pyridin-3-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Completing data — refresh the page later to see the latest
Basic information
- CAS
364627-78-1- Standard SMILES
CCCC1=C(C(=O)OCC)C(c2cc(OC)ccc2OC)n2c(sc(=Cc3cccnc3)c2=O)=N1- InChIKey
QYIZPCSLPHDUSP-UHFFFAOYSA-N- Molecular formula
- C26H27N3O5S
- Average molar mass
- 493.6 g/mol
- Monoisotopic mass
- 493.16714214
Names & identifiers
- Preferred name
- ethyl 5-(2,5-dimethoxyphenyl)-3-oxo-7-propyl-2-(pyridin-3-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 5-(2,5-dimethoxyphenyl)-3-oxo-7-propyl-2-(pyridin-3-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- English name
- ethyl 5-(2,5-dimethoxyphenyl)-3-oxo-7-propyl-2-(3-pyridinylmethylene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- Molecular formula
- C26H27N3O5S
- Molecular weight
- 493.58
Names & synonyms
Oprea1_032163ethyl 5-(2,5-dimethoxyphenyl)-3-oxo-7-propyl-2-(3-pyridinylmethylene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 5-(2,5-dimethoxyphenyl)-2,3-dihydro-3-oxo-7-propyl-2-(3-pyridinylmethylene)-, ethyl esterethyl (2Z)-5-(2,5-dimethoxyphenyl)-3-oxo-7-propyl-2-(pyridin-3-ylmethylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Database identifiers
- CAS
364627-78-1- PubChem CID
- 2897748
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 901
Physicochemical properties
- Boiling point
- 628.6 · 628.6±65.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 3.31 · 3.31±0.12(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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