Basic information
- CAS
617694-84-5- Standard SMILES
COc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(C)C3=O)c3ccccc32)c(OC)c1- InChIKey
UMDZVACGCNYEQV-HNENSFHCSA-N- Molecular formula
- C22H19N3O5S2
- Average molar mass
- 469.5 g/mol
- Monoisotopic mass
- 469.07661306
Names & identifiers
- Preferred name
- N-(2,4-Dimethoxyphenyl)-2-[(3Z)-3-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1H-indol-1-YL]acetamide
- IUPAC
- N-(2,4-dimethoxyphenyl)-2-[(3Z)-3-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetamide
Names & synonyms
617694-84-5N-(2,4-dimethoxyphenyl)-2-[(3Z)-3-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetamideN-(2,4-DIMETHOXYPHENYL)-2-((3Z)-3-(3-METHYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)-2-OXO-2,3-DIHYDRO-1H-INDOL-1-YL)ACETAMIDERefChem:823964644-252-5N-(2,4-dimethoxyphenyl)-2-{3-[(5Z)-3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetamideSTK880787AKOS002195998(Z)-N-(2,4-dimethoxyphenyl)-2-(3-(3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)-2-oxoindolin-1-yl)acetamideN-(2,4-dimethoxyphenyl)-2-[(3Z)-3-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetamideF1423-0813
Database identifiers
- CAS
617694-84-5- PubChem CID
- 2139061
- EC Number
- 644-252-5
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 847
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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