N-(2-Fluorophenyl)-2-[(3Z)-3-(3-isopropyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1H-indol-1-YL]acetamide
Basic information
- CAS
617698-52-9- Standard SMILES
CC(C)N1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccccc3F)c3ccccc32)SC1=S- InChIKey
GBGZITBRBVYVBE-HNENSFHCSA-N- Molecular formula
- C22H18FN3O3S2
- Average molar mass
- 455.5 g/mol
- Monoisotopic mass
- 455.07736195
Names & identifiers
- Preferred name
- N-(2-Fluorophenyl)-2-[(3Z)-3-(3-isopropyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1H-indol-1-YL]acetamide
- IUPAC
- N-(2-fluorophenyl)-2-[(3Z)-2-oxo-3-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]acetamide
Names & synonyms
617698-52-9N-(2-FLUOROPHENYL)-2-[(3Z)-3-(3-ISOPROPYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)-2-OXO-2,3-DIHYDRO-1H-INDOL-1-YL]ACETAMIDEN-(2-FLUOROPHENYL)-2-((3Z)-3-(3-ISOPROPYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)-2-OXO-2,3-DIHYDRO-1H-INDOL-1-YL)ACETAMIDERefChem:825394638-635-6STK813604AKOS002193767AB00686036-01N-(2-fluorophenyl)-2-{(3Z)-2-oxo-3-[4-oxo-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-1-yl}acetamide
Database identifiers
- CAS
617698-52-9- PubChem CID
- 2139130
- EC Number
- 638-635-6
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 831
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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