Basic information
- CAS
54890-74-3- Standard SMILES
O=C(CN1C(=O)c2ccccc2C1=O)Nc1nc(-c2ccc(Br)cc2)cs1- InChIKey
PVUDQIFRUJYAQI-UHFFFAOYSA-N- Molecular formula
- C19H12BrN3O3S
- Average molar mass
- 442.3 g/mol
- Monoisotopic mass
- 440.97828
Names & identifiers
- Preferred name
- N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
- IUPAC
- N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
- English name
- N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
- Molecular formula
- C19H12BrN3O3S
- Molecular weight
- 442.29
Names & synonyms
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide54890-74-3Cambridge id 6996849Oprea1_422451Oprea1_749485STK850445AKOS001657196AKOS005629001SDCCGSBI-0660812.P001ST50188128N-(4-(4-bromophenyl)thiazol-2-yl)-2-(1,3-dioxoisoindolin-2-yl)acetamide2-(1,3-dioxobenzo[c]azolin-2-yl)-N-[4-(4-bromophenyl)(1,3-thiazol-2-yl)]acetam ide
Show more names
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide2H-Isoindole-2-acetamide, N-[4-(4-bromophenyl)-2-thiazolyl]-1,3-dihydro-1,3-dioxo-
N-[(2E)-4-(4-bromophenyl)-1,3-thiazol-2(3H)-ylidene]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
Database identifiers
- CAS
54890-74-3- PubChem CID
- 978790
- EC Number
- 120-946-9
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 587
Physicochemical properties
- Melting point
- 231 °C · 231 °C
- Density
- 1.667 · 1.667±0.06 g/cm3(Predicted)
- pka
- 7.97 · 7.97±0.50(Predicted)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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