ethyl 5-(3-methoxy-2-propoxyphenyl)-7-methyl-2-(naphthalen-1-ylmethylidene)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Basic information
- CAS
497224-77-8- Standard SMILES
CCCOc1c(OC)cccc1C1C(C(=O)OCC)=C(C)N=c2sc(=Cc3cccc4ccccc34)c(=O)n21- InChIKey
UUIWIGZVNBQVKI-UHFFFAOYSA-N- Molecular formula
- C31H30N2O5S
- Average molar mass
- 542.6 g/mol
Names & identifiers
- Preferred name
- ethyl 5-(3-methoxy-2-propoxyphenyl)-7-methyl-2-(naphthalen-1-ylmethylidene)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 5-(3-methoxy-2-propoxyphenyl)-7-methyl-2-(naphthalen-1-ylmethylidene)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- English name
- ethyl 5-(3-methoxy-2-propoxyphenyl)-7-methyl-2-(1-naphthylmethylene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- Molecular formula
- C31H30N2O5S
- Molecular weight
- 542.65
Names & synonyms
Oprea1_142766ethyl 5-(3-methoxy-2-propoxyphenyl)-7-methyl-2-(1-naphthylmethylene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2,3-dihydro-5-(3-methoxy-2-propoxyphenyl)-7-methyl-2-(1-naphthalenylmethylene)-3-oxo-, ethyl esterethyl (2Z)-5-(3-methoxy-2-propoxyphenyl)-7-methyl-2-(naphthalen-1-ylmethylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Database identifiers
- CAS
497224-77-8
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,020
Physicochemical properties
- Boiling point
- 670.2 · 670.2±65.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- -4.58 · -4.58±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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