Basic information
- CAS
617696-46-5- Standard SMILES
CCC(C)N1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccc(OC)cc3)c3ccccc32)SC1=S- InChIKey
NGIMMHSTXGPSEJ-MRCUWXFGSA-N- Molecular formula
- C24H23N3O4S2
- Average molar mass
- 481.6 g/mol
- Monoisotopic mass
- 481.11299857
Names & identifiers
- Preferred name
- 2-[(3Z)-3-(3-Sec-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1H-indol-1-YL]-N-(4-methoxyphenyl)acetamide
- IUPAC
- 2-[(3Z)-3-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]-N-(4-methoxyphenyl)acetamide
Names & synonyms
2-[(3Z)-3-(3-SEC-BUTYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)-2-OXO-2,3-DIHYDRO-1H-INDOL-1-YL]-N-(4-METHOXYPHENYL)ACETAMIDE2-((3Z)-3-(3-SEC-BUTYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)-2-OXO-2,3-DIHYDRO-1H-INDOL-1-YL)-N-(4-METHOXYPHENYL)ACETAMIDERefChem:448376617696-46-5644-607-4STK813315AKOS002196441AKOS0160675562-{(3Z)-3-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}-N-(4-methoxyphenyl)acetamide
Database identifiers
- CAS
617696-46-5- PubChem CID
- 5774291
- EC Number
- 644-607-4
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 853
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, P391, 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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