ethyl 2-[(4-methoxynaphthalen-1-yl)methylidene]-3-oxo-7-phenyl-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
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Basic information
- CAS
342012-08-2- Standard SMILES
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(OC)c4ccccc34)c(=O)n2C1c1cccs1- InChIKey
CTVFLCJWOMCGLQ-UHFFFAOYSA-N- Molecular formula
- C31H24N2O4S2
- Average molar mass
- 552.7 g/mol
Names & identifiers
- Preferred name
- ethyl 2-[(4-methoxynaphthalen-1-yl)methylidene]-3-oxo-7-phenyl-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 2-[(4-methoxynaphthalen-1-yl)methylidene]-3-oxo-7-phenyl-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- English name
- ethyl 2-[(4-methoxy-1-naphthyl)methylene]-3-oxo-7-phenyl-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- Molecular formula
- C31H24N2O4S2
- Molecular weight
- 552.67
Names & synonyms
Oprea1_826292ethyl 2-[(4-methoxy-1-naphthyl)methylene]-3-oxo-7-phenyl-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Database identifiers
- CAS
342012-08-2
Properties
Computed structural propertiesFilling in
- XLogP
- 6.7
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,050
Physicochemical properties
- Boiling point
- 740.185 · 740.185±70.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.348 · 1.348±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -5.336 · -5.336±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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