Ethyl (2E)-2-[4-(acetyloxy)-3-ethoxybenzylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate
Basic information
- CAS
357433-42-2- Standard SMILES
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2C1c1ccc(Cl)cc1- InChIKey
HWIGAUFPTODHRT-HYARGMPZSA-N- Molecular formula
- C27H25ClN2O6S
- Average molar mass
- 541 g/mol
- Monoisotopic mass
- 540.1121854
Names & identifiers
- Preferred name
- Ethyl (2E)-2-[4-(acetyloxy)-3-ethoxybenzylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate
- IUPAC
- ethyl (2E)-2-[(4-acetyloxy-3-ethoxyphenyl)methylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- English name
- SALOR-INT L253898-1EA
- Molecular formula
- C27H25ClN2O6S
- Molecular weight
- 541.02
Names & synonyms
357433-42-2ethyl (2E)-2-[4-(acetyloxy)-3-ethoxybenzylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateETHYL (2E)-2-(4-(ACETYLOXY)-3-ETHOXYBENZYLIDENE)-5-(4-CHLOROPHENYL)-7-METHYL-3-OXO-2,3-DIHYDRO-5H-(1,3)THIAZOLO(3,2-A)PYRIMIDINE-6-CARBOXYLATERefChem:592930651-616-7Ethyl 2-(4-acetoxy-3-ethoxybenzylidene)-5-(4-chlorophenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylateAKOS002261477SALOR-INT L253898-1EA
Database identifiers
- CAS
357433-42-2- PubChem CID
- 6270899
- EC Number
- 651-616-7
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,000
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
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Compound notes
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