Basic information
- CAS
618077-11-5- Standard SMILES
O=C(CN1C(=O)/C(=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21)Nc1ccccc1Cl- InChIKey
JSOPQXFYAXMYTB-VHXPQNKSSA-N- Molecular formula
- C27H20ClN3O3S2
- Average molar mass
- 534.1 g/mol
- Monoisotopic mass
- 533.0634615
Names & identifiers
- Preferred name
- N-(2-Chlorophenyl)-2-((3Z)-2-oxo-3-(4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene)-2,3-dihydro-1H-indol-1-YL)acetamide
- IUPAC
- N-(2-chlorophenyl)-2-[(3Z)-2-oxo-3-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]acetamide
Names & synonyms
N-(2-chlorophenyl)-2-{(3Z)-2-oxo-3-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-1-yl}acetamideN-(2-Chlorophenyl)-2-((3Z)-2-oxo-3-(4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene)-2,3-dihydro-1H-indol-1-YL)acetamideRefChem:825229618077-11-5645-488-1STK814120AKOS002194038
Database identifiers
- CAS
618077-11-5- PubChem CID
- 5916751
- EC Number
- 645-488-1
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 935
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
Loading…