Basic information
- CAS
618073-19-1- Standard SMILES
CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)c(F)c2)C1c1ccc([N+](=O)[O-])cc1- InChIKey
SCZULKHBTAONDX-LSDHQDQOSA-N- Molecular formula
- C24H26FN3O6
- Average molar mass
- 471.5 g/mol
- Monoisotopic mass
- 471.18056372
Names & identifiers
- Preferred name
- 1-(2-(Diethylamino)ethyl)-4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-5-(4-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- (4E)-1-[2-(diethylamino)ethyl]-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Names & synonyms
RefChem:4212091-(2-(Diethylamino)ethyl)-4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-5-(4-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one1-[2-(diethylamino)ethyl]-4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-5-(4-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one645-684-7618073-19-1Z57784149
Database identifiers
- CAS
618073-19-1- PubChem CID
- 5776672
- EC Number
- 645-684-7
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 788
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, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…