3,5-Pyrazolidinedione, 1,2-diphenyl-4-(2-(p-isobutylbenzoyl)ethyl)-
Basic information
- CAS
20358-37-6- Standard SMILES
CC(C)Cc1ccc(C(=O)CCC2C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)cc1- InChIKey
ROXDYSBSVYGMEK-UHFFFAOYSA-N- Molecular formula
- C28H28N2O3
- Average molar mass
- 440.5 g/mol
- Monoisotopic mass
- 440.20999276
Names & identifiers
- Preferred name
- 3,5-Pyrazolidinedione, 1,2-diphenyl-4-(2-(p-isobutylbenzoyl)ethyl)-
- IUPAC
- 4-[3-[4-(2-methylpropyl)phenyl]-3-oxopropyl]-1,2-diphenylpyrazolidine-3,5-dione
Names & synonyms
3,5-Pyrazolidinedione, 1,2-diphenyl-4-(2-(p-isobutylbenzoyl)ethyl)-20358-37-6BRN 05863871,2-Diphenyl-4-(2-(p-isobutylbenzoyl)ethyl)-3,5-pyrazolidinedione4-{3-[4-(2-methylpropyl)phenyl]-3-oxopropyl}-1,2-diphenylpyrazolidine-3,5-dioneDTXSID40174279
Database identifiers
- CAS
20358-37-6- PubChem CID
- 209772
- DTXSID
DTXSID40174279
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 649
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Compound notes
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