Basic information
- CAS
892214-30-1- Standard SMILES
O=C1CC(Sc2ccc(-n3cccc3)cc2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1- InChIKey
MDAHANHQYOVSDS-UHFFFAOYSA-N- Molecular formula
- C26H20N4O2S
- Average molar mass
- 452.5 g/mol
- Monoisotopic mass
- 452.13069707
Names & identifiers
- Preferred name
- 2,5-Pyrrolidinedione, 1-[4-(2-phenyldiazenyl)phenyl]-3-[[4-(1H-pyrrol-1-yl)phenyl]thio]-
- IUPAC
- 1-(4-phenyldiazenylphenyl)-3-(4-pyrrol-1-ylphenyl)sulfanylpyrrolidine-2,5-dione
Names & synonyms
DTXSID901039366AKOS0039931972,5-Pyrrolidinedione, 1-[4-(2-phenyldiazenyl)phenyl]-3-[[4-(1H-pyrrol-1-yl)phenyl]thio]-892214-30-1
Database identifiers
- CAS
892214-30-1- PubChem CID
- 22782826
- DTXSID
DTXSID901039366
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 703
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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