(4E)-4-[1-(4-methoxyanilino)ethylidene]-1-phenylpyrazolidine-3,5-dione
Basic information
- CAS
80141-82-8- Standard SMILES
COc1ccc(N=C(C)c2c(O)n(-c3ccccc3)[nH]c2=O)cc1- InChIKey
GXJGYBMCOGBKIQ-UHFFFAOYSA-N- Molecular formula
- C18H17N3O3
- Average molar mass
- 323.3 g/mol
- Monoisotopic mass
- 323.12699141
Names & identifiers
- Preferred name
- (4E)-4-[1-(4-methoxyanilino)ethylidene]-1-phenylpyrazolidine-3,5-dione
- IUPAC
- 3-hydroxy-4-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-2-phenyl-1H-pyrazol-5-one
Names & synonyms
NSC35595080141-82-8DTXSID30419580(4E)-4-[1-(4-methoxyanilino)ethylidene]-1-phenylpyrazolidine-3,5-dioneNSC-355950
Database identifiers
- CAS
80141-82-8- PubChem CID
- 337530
- DTXSID
DTXSID30419580
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 530
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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