Ethyl 2-(2-(4-ethylphenyl)-3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-2,5-DI hydro-1H-pyrrol-1-YL)-4-methyl-1,3-thiazole-5-carboxylate
Basic information
- CAS
617698-02-9- Standard SMILES
CCOC(=O)c1sc(N2C(=O)C(=O)/C(=C(/O)c3ccc(C)c(F)c3)C2c2ccc(CC)cc2)nc1C- InChIKey
CWNRIKLTMPYZAK-LSDHQDQOSA-N- Molecular formula
- C27H25FN2O5S
- Average molar mass
- 508.6 g/mol
- Monoisotopic mass
- 508.14682124
Names & identifiers
- Preferred name
- Ethyl 2-(2-(4-ethylphenyl)-3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-2,5-DI hydro-1H-pyrrol-1-YL)-4-methyl-1,3-thiazole-5-carboxylate
- IUPAC
- ethyl 2-[(3E)-2-(4-ethylphenyl)-3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
- English name
- SALOR-INT L419419-1EA
- Molecular formula
- C27H25FN2O5S
- Molecular weight
- 508.56
Names & synonyms
617698-02-9Ethyl 2-(2-(4-ethylphenyl)-3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-2,5-DI hydro-1H-pyrrol-1-YL)-4-methyl-1,3-thiazole-5-carboxylateETHYL 2-[2-(4-ETHYLPHENYL)-3-(3-FLUORO-4-METHYLBENZOYL)-4-HYDROXY-5-OXO-2,5-DI HYDRO-1H-PYRROL-1-YL]-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATERefChem:593652638-522-1Ethyl 2-(2-(4-ethylphenyl)-3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylateSALOR-INT L419419-1EAETHYL 2-[2-(4-ETHYLPHENYL)-3-(3-FLUORO-4-METHYLBENZOYL)-4-HYDROXY-5-OXO-2,5-DIHYDRO-1H-PYRROL-1-YL]-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE
Database identifiers
- CAS
617698-02-9- PubChem CID
- 5844500
- EC Number
- 638-522-1
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 889
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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