ethyl 5-{4-[(2,4-dichlorobenzyl)oxy]-3-ethoxyphenyl}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Basic information
- CAS
486995-07-7- Standard SMILES
CCOC(=O)C1=C(C)N=C2SCC(=O)N2C1c1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1- InChIKey
BAJXICCPWQXMKX-UHFFFAOYSA-N- Molecular formula
- C25H24Cl2N2O5S
- Average molar mass
- 535.4 g/mol
- Monoisotopic mass
- 534.0782984
Names & identifiers
- Preferred name
- ethyl 5-{4-[(2,4-dichlorobenzyl)oxy]-3-ethoxyphenyl}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 5-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- English name
- ethyl 5-{4-[(2,4-dichlorobenzyl)oxy]-3-ethoxyphenyl}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- Molecular formula
- C25H24Cl2N2O5S
- Molecular weight
- 535.44
Names & synonyms
ethyl 5-{4-[(2,4-dichlorobenzyl)oxy]-3-ethoxyphenyl}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateSTK398284AKOS003809211ethyl 5-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateAN-655/406882075H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 5-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-2,3-dihydro-7-methyl-3-oxo-, ethyl ester
Database identifiers
- CAS
486995-07-7- PubChem CID
- 5101757
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 869
Physicochemical properties
- Boiling point
- 632.3 · 632.3±65.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- -1.89 · -1.89±0.60(Predicted)
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Compound notes
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