3,5-Pyrazolidinedione, 4-(2-(3,4-dimethylbenzoyl)ethyl)-1,2-diphenyl-
Basic information
- CAS
20358-33-2- Standard SMILES
Cc1ccc(C(=O)CCC2C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)cc1C- InChIKey
SDKSNLXZCYGJJS-UHFFFAOYSA-N- Molecular formula
- C26H24N2O3
- Average molar mass
- 412.5 g/mol
- Monoisotopic mass
- 412.17869263
Names & identifiers
- Preferred name
- 3,5-Pyrazolidinedione, 4-(2-(3,4-dimethylbenzoyl)ethyl)-1,2-diphenyl-
- IUPAC
- 4-[3-(3,4-dimethylphenyl)-3-oxopropyl]-1,2-diphenylpyrazolidine-3,5-dione
Names & synonyms
5539-99-14-[3-(3,4-dimethylphenyl)-3-oxopropyl]-1,2-diphenylpyrazolidine-3,5-dione3,5-Pyrazolidinedione, 4-(2-(3,4-dimethylbenzoyl)ethyl)-1,2-diphenyl-4-(3-(3,4-Dimethylphenyl)-3-oxopropyl)-1,2-diphenylpyrazolidine-3,5-dione20358-33-2BRN 05833864-(2-(3,4-Dimethylbenzoyl)ethyl)-1,2-diphenyl-3,5-pyrazolidinedioneDTXSID60174276
Database identifiers
- CAS
20358-33-2- PubChem CID
- 209769
- DTXSID
DTXSID60174276
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 630
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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