Basic information
- CAS
492427-63-1- Standard SMILES
CCOC(=O)C1=C(C)N=c2sc(=Cc3c[nH]nc3-c3ccccc3)c(=O)n2C1c1ccc(N(C)C)cc1- InChIKey
XHODQZAVTFUELM-UHFFFAOYSA-N- Molecular formula
- C28H27N5O3S
- Average molar mass
- 513.6 g/mol
Names & identifiers
- Preferred name
- ethyl 5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- English name
- ethyl 5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2-[(3-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- Molecular formula
- C28H27N5O3S
- Molecular weight
- 513.61
Names & synonyms
ethyl 5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2-[(3-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Database identifiers
- CAS
492427-63-1
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 978
Physicochemical properties
- Boiling point
- 728.075 · 728.075±70.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.324 · 1.324±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.381 · 11.381±0.10(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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