N-(3-Bromophenyl)-2-((3Z)-3-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1H-indol-1-YL)acetamide
Basic information
- CAS
618075-06-2- Standard SMILES
CCCCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3cccc(Br)c3)c3ccccc32)SC1=S- InChIKey
NRXNHXUZTTZDDH-VXPUYCOJSA-N- Molecular formula
- C23H20BrN3O3S2
- Average molar mass
- 530.5 g/mol
- Monoisotopic mass
- 529.01295
Names & identifiers
- Preferred name
- N-(3-Bromophenyl)-2-((3Z)-3-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1H-indol-1-YL)acetamide
- IUPAC
- N-(3-bromophenyl)-2-[(3Z)-3-(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetamide
- English name
- SALOR-INT L424781-1EA
- Molecular formula
- C23H20BrN3O3S2
- Molecular weight
- 530.46
Names & synonyms
N-(3-bromophenyl)-2-[(3Z)-3-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetamideN-(3-Bromophenyl)-2-((3Z)-3-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1H-indol-1-YL)acetamideRefChem:826235618075-06-2645-333-8STK814002AKOS002193973SALOR-INT L424781-1EA
Database identifiers
- CAS
618075-06-2- PubChem CID
- 5850528
- EC Number
- 645-333-8
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 833
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 413 · H413-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H413-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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