4-[Hydroxy(phenyl)methylidene]-1-(3-imidazol-1-ylpropyl)-5-(4-prop-2-enoxyphenyl)pyrrolidine-2,3-dione
Basic information
- CAS
4855-12-3- Standard SMILES
C=CCOc1ccc(C2C(=C(O)c3ccccc3)C(=O)C(=O)N2CCCn2ccnc2)cc1- InChIKey
IDDTWOBLCWHIRP-UHFFFAOYSA-N- Molecular formula
- C26H25N3O4
- Average molar mass
- 443.5 g/mol
- Monoisotopic mass
- 443.18450629
Names & identifiers
- Preferred name
- 4-[Hydroxy(phenyl)methylidene]-1-(3-imidazol-1-ylpropyl)-5-(4-prop-2-enoxyphenyl)pyrrolidine-2,3-dione
- IUPAC
- 4-[hydroxy(phenyl)methylidene]-1-(3-imidazol-1-ylpropyl)-5-(4-prop-2-enoxyphenyl)pyrrolidine-2,3-dione
Names & synonyms
4855-12-3DTXSID509640824-[Hydroxy(phenyl)methylidene]-1-[3-(1H-imidazol-1-yl)propyl]-5-{4-[(prop-2-en-1-yl)oxy]phenyl}pyrrolidine-2,3-dione
Database identifiers
- CAS
4855-12-3- PubChem CID
- 5226312
- DTXSID
DTXSID50964082
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 738
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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