Basic information
- CAS
618079-38-2- Standard SMILES
COc1ccc(CCN2C(=O)/C(=C3/C(=O)N(CC(=O)NCCc4ccccc4)c4ccccc43)SC2=S)cc1- InChIKey
SIBHHOZYGUZMNP-RQZHXJHFSA-N- Molecular formula
- C30H27N3O4S2
- Average molar mass
- 557.7 g/mol
- Monoisotopic mass
- 557.1442987
Names & identifiers
- Preferred name
- 2-((3Z)-3-{3-[2-(4-Methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-2-oxo-2,3-dihydro-1H-indol-1-YL)-N-(2-phenylethyl)acetamide
- IUPAC
- 2-[(3Z)-3-[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-(2-phenylethyl)acetamide
Names & synonyms
2-((3Z)-3-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-2-oxo-2,3-dihydro-1H-indol-1-yl)-N-(2-phenylethyl)acetamide2-((3Z)-3-(3-(2-(4-METHOXYPHENYL)ETHYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)-2-OXO-2,3-DIHYDRO-1H-INDOL-1-YL)-N-(2-PHENYLETHYL)ACETAMIDE2-[(3Z)-3-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-2-oxo-2,3-dihydro-1H-indol-1-yl]-N-(2-phenylethyl)acetamideRefChem:448310618079-38-2645-506-8STK814223AKOS002193989
Database identifiers
- CAS
618079-38-2- PubChem CID
- 5939596
- EC Number
- 645-506-8
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 971
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, 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.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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