Basic information
- CAS
292871-30-8- Standard SMILES
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3Cl)c(=O)n2C1c1ccccc1- InChIKey
OYDHGLDWFBBXAO-UHFFFAOYSA-N- Molecular formula
- C23H19ClN2O3S
- Average molar mass
- 438.9 g/mol
- Monoisotopic mass
- 438.0804913
Names & identifiers
- Preferred name
- Ethyl 2-[(2-chlorophenyl)methylene]-2,3-dihydro-7-methyl-3-oxo-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 2-[(2-chlorophenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- English name
- (E)-ethyl 2-(2-chlorobenzylidene)-7-methyl-3-oxo-5-phenyl-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
- Molecular formula
- C23H19ClN2O3S
- Molecular weight
- 438.93
Names & synonyms
Oprea1_700819Oprea1_808647DTXSID101106919292871-30-8Ethyl 2-[(2-chlorophenyl)methylene]-2,3-dihydro-7-methyl-3-oxo-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate(E)-ethyl 2-(2-chlorobenzylidene)-7-methyl-3-oxo-5-phenyl-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylateETHYL (2E)-2-(2-CHLOROBENZYLIDENE)-7-METHYL-3-OXO-5-PHENYL-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2-[(2-chlorophenyl)methylene]-2,3-dihydro-7-methyl-3-oxo-5-phenyl-, ethyl ester
Database identifiers
- CAS
292871-30-8- PubChem CID
- 2850643
- DTXSID
DTXSID101106919
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 84.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 800
Physicochemical properties
- Boiling point
- 575.9 · 575.9±60.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- -4.27 · -4.27±0.70(Predicted)
Chemistry & industry
Suppliers3 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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