4-Benzoyl-3-hydroxy-5-(4-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-YL)-1,5-dihydro-2H-pyrrol-2-one
Basic information
- CAS
439947-30-5- Standard SMILES
COc1ccc(C2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2nnc(C)s2)cc1- InChIKey
SUPLXEFSPMDLMM-FBMGVBCBSA-N- Molecular formula
- C21H17N3O4S
- Average molar mass
- 407.4 g/mol
- Monoisotopic mass
- 407.09397721
Names & identifiers
- Preferred name
- 4-Benzoyl-3-hydroxy-5-(4-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-YL)-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-4-[hydroxy(phenyl)methylidene]-5-(4-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
- English name
- SALOR-INT L246921-1EA
- Molecular formula
- C21H17N3O4S
- Molecular weight
- 407.44
Names & synonyms
RefChem:5184164-benzoyl-3-hydroxy-5-(4-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one650-122-9439947-30-5HMS656P08STK983230AKOS001079111AKOS016294678SR-01000487242SR-01000487242-1Z572402393-hydroxy-5-(4-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(phenylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
Show more names
SALOR-INT L246921-1EA
Database identifiers
- CAS
439947-30-5- PubChem CID
- 5877278
- EC Number
- 650-122-9
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 671
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- 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
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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Related reactions
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Compound notes
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