Methyl 5-(3,4-dimethoxyphenyl)-2-ethyl-7-methyl-3-oxo-2,3-dihydro-5H-(1,3)thiazolo(3,2-A)pyrimidine-6-carboxylate
Basic information
- CAS
617698-56-3- Standard SMILES
CCC1SC2=NC(C)=C(C(=O)OC)C(c3ccc(OC)c(OC)c3)N2C1=O- InChIKey
FOSGWPWSCKRQPY-UHFFFAOYSA-N- Molecular formula
- C19H22N2O5S
- Average molar mass
- 390.5 g/mol
- Monoisotopic mass
- 390.12494298
Names & identifiers
- Preferred name
- Methyl 5-(3,4-dimethoxyphenyl)-2-ethyl-7-methyl-3-oxo-2,3-dihydro-5H-(1,3)thiazolo(3,2-A)pyrimidine-6-carboxylate
- IUPAC
- methyl 5-(3,4-dimethoxyphenyl)-2-ethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- English name
- SALOR-INT L419931-1EA
- Molecular formula
- C19H22N2O5S
- Molecular weight
- 390.45
Names & synonyms
617698-56-3methyl 5-(3,4-dimethoxyphenyl)-2-ethyl-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateMethyl 5-(3,4-dimethoxyphenyl)-2-ethyl-7-methyl-3-oxo-2,3-dihydro-5H-(1,3)thiazolo(3,2-A)pyrimidine-6-carboxylateRefChem:816672638-649-2Methyl 5-(3,4-dimethoxyphenyl)-2-ethyl-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylateSTL338415AKOS001685079AKOS016069091ST50090172methyl 5-(3,4-dimethoxyphenyl)-2-ethyl-7-methyl-3-oxo-4,5-dihydro-2H-1,3-thiaz olidino[3,2-a]pyrimidine-6-carboxylateSALOR-INT L419931-1EA
Show more names
5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 5-(3,4-dimethoxyphenyl)-2-ethyl-2,3-dihydro-7-methyl-3-oxo-, methyl ester
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 677
Physicochemical properties
- Boiling point
- 502.5 · 502.5±60.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- -1.85 · -1.85±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- 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
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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