Basic information
- CAS
327055-87-8- Standard SMILES
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(O)c(OCC)c3)c(=O)n2C1c1ccc(N(C)C)cc1- InChIKey
VOKUJTAVKQZGLS-UHFFFAOYSA-N- Molecular formula
- C27H29N3O5S
- Average molar mass
- 507.6 g/mol
Names & identifiers
- Preferred name
- ethyl 5-[4-(dimethylamino)phenyl]-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 5-[4-(dimethylamino)phenyl]-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- English name
- ethyl 5-[4-(dimethylamino)phenyl]-2-(3-ethoxy-4-hydroxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- Molecular formula
- C27H29N3O5S
- Molecular weight
- 507.6
Names & synonyms
ChemDiv1_001212Oprea1_671798ethyl 5-[4-(dimethylamino)phenyl]-2-(3-ethoxy-4-hydroxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 5-[4-(dimethylamino)phenyl]-2-[(3-ethoxy-4-hydroxyphenyl)methylene]-2,3-dihydro-7-methyl-3-oxo-, ethyl ester
Database identifiers
- CAS
327055-87-8
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 938
Physicochemical properties
- Boiling point
- 658.7 · 658.7±65.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 9.32 · 9.32±0.35(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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