3,5-Pyrazolidinedione, 4-(4,4-dimethyl-3-oxopentyl)-1,2-diphenyl-4-(hydroxymethyl)-
Basic information
- CAS
42190-58-9- Standard SMILES
CC(C)(C)C(=O)CCC1(CO)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O- InChIKey
AHHVHIBGPHHYFJ-UHFFFAOYSA-N- Molecular formula
- C23H26N2O4
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.18925731
Names & identifiers
- Preferred name
- 3,5-Pyrazolidinedione, 4-(4,4-dimethyl-3-oxopentyl)-1,2-diphenyl-4-(hydroxymethyl)-
- IUPAC
- 4-(4,4-dimethyl-3-oxopentyl)-4-(hydroxymethyl)-1,2-diphenylpyrazolidine-3,5-dione
Names & synonyms
BRN 07174123,5-Pyrazolidinedione, 4-(4,4-dimethyl-3-oxopentyl)-1,2-diphenyl-4-(hydroxymethyl)-42190-58-9DTXSID801950095-25-03-00287 (Beilstein Handbook Reference)4-(4,4-Dimethyl-3-oxopentyl)-1,2-diphenyl-4-(hydroxymethyl)-3,5-pyrazolidinedioneRefChem:272075DTXCID40117500SCHEMBL113339774-(4,4-dimethyl-3-oxopentyl)-4-(hydroxymethyl)-1,2-diphenylpyrazolidine-3,5-dione
Database identifiers
- CAS
42190-58-9- PubChem CID
- 3039092
- DTXSID
DTXSID80195009
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 591
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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