2,3-Pyrrolidinedione, 4-[(3,4-dimethoxyphenyl)hydroxymethylene]-5-[4-(1-methylethyl)phenyl]-1-(5-methyl-3-isoxazolyl)-
Basic information
- CAS
898796-64-0- Standard SMILES
COc1ccc(C(O)=C2C(=O)C(=O)N(c3cc(C)on3)C2c2ccc(C(C)C)cc2)cc1OC- InChIKey
BMRSRZKRIBVYID-UHFFFAOYSA-N- Molecular formula
- C26H26N2O6
- Average molar mass
- 462.5 g/mol
- Monoisotopic mass
- 462.17908655
Names & identifiers
- Preferred name
- 2,3-Pyrrolidinedione, 4-[(3,4-dimethoxyphenyl)hydroxymethylene]-5-[4-(1-methylethyl)phenyl]-1-(5-methyl-3-isoxazolyl)-
- IUPAC
- 4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
Names & synonyms
DTXSID2011057384-(3,4-dimethoxybenzoyl)-3-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-2-one618875-18-62,3-Pyrrolidinedione, 4-[(3,4-dimethoxyphenyl)hydroxymethylene]-5-[4-(1-methylethyl)phenyl]-1-(5-methyl-3-isoxazolyl)-898796-64-0
Database identifiers
- CAS
898796-64-0- PubChem CID
- 3338552
- DTXSID
DTXSID201105738
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 790
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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