2-Methoxyethyl (2Z)-2-(4-(benzyloxy)benzylidene)-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihyd RO-5H-(1,3)thiazolo(3,2-A)pyrimidine-6-carboxylate
Basic information
- CAS
618072-20-1- Standard SMILES
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4)cc3)c(=O)n2C1c1cccs1- InChIKey
HTBMDLZWIQCVSQ-ULJHMMPZSA-N- Molecular formula
- C29H26N2O5S2
- Average molar mass
- 546.7 g/mol
- Monoisotopic mass
- 546.12831428
Names & identifiers
- Preferred name
- 2-Methoxyethyl (2Z)-2-(4-(benzyloxy)benzylidene)-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihyd RO-5H-(1,3)thiazolo(3,2-A)pyrimidine-6-carboxylate
- IUPAC
- 2-methoxyethyl (2Z)-7-methyl-3-oxo-2-[(4-phenylmethoxyphenyl)methylidene]-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Names & synonyms
618072-20-12-Methoxyethyl (2Z)-2-(4-(benzyloxy)benzylidene)-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihyd RO-5H-(1,3)thiazolo(3,2-A)pyrimidine-6-carboxylate2-METHOXYETHYL (2Z)-2-[4-(BENZYLOXY)BENZYLIDENE]-7-METHYL-3-OXO-5-(2-THIENYL)-2,3-DIHYD RO-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATERefChem:474620637-850-22-Methoxyethyl 2-(4-(benzyloxy)benzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylateSTK813725AKOS002193207AKOS0160694172-METHOXYETHYL (2Z)-2-[4-(BENZYLOXY)BENZYLIDENE]-7-METHYL-3-OXO-5-(2-THIENYL)-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE2-methoxyethyl (2Z)-2-[4-(benzyloxy)benzylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Database identifiers
- CAS
618072-20-1- PubChem CID
- 5898482
- EC Number
- 637-850-2
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 966
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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