4-((4-Chlorophenyl)(phenylimino)methyl)-1,2-diphenyl-3,5-pyrazolidinedione
Basic information
- CAS
75859-69-7- Standard SMILES
O=C1C(C(=Nc2ccccc2)c2ccc(Cl)cc2)C(=O)N(c2ccccc2)N1c1ccccc1- InChIKey
QXJUOYYQTZUTEF-UHFFFAOYSA-N- Molecular formula
- C28H20ClN3O2
- Average molar mass
- 465.9 g/mol
- Monoisotopic mass
- 465.1244046
Names & identifiers
- Preferred name
- 4-((4-Chlorophenyl)(phenylimino)methyl)-1,2-diphenyl-3,5-pyrazolidinedione
- IUPAC
- 4-[C-(4-chlorophenyl)-N-phenylcarbonimidoyl]-1,2-diphenylpyrazolidine-3,5-dione
Names & synonyms
BRN 07230874-((4-Chlorophenyl)(phenylimino)methyl)-1,2-diphenyl-3,5-pyrazolidinedione3,5-Pyrazolidinedione, 4-((4-chlorophenyl)(phenylimino)methyl)-1,2-diphenyl-75859-69-7
Database identifiers
- CAS
75859-69-7- PubChem CID
- 3058951
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 709
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…