2,2'-Sulfanediylbis[n'-(4-fluorobenzylidene)propanehydrazide]
Basic information
- CAS
6946-27-6- Standard SMILES
CC(SC(C)C(=O)NN=Cc1ccc(F)cc1)C(=O)NN=Cc1ccc(F)cc1- InChIKey
WQZBJECPVQLPCI-UHFFFAOYSA-N- Molecular formula
- C20H20F2N4O2S
- Average molar mass
- 418.5 g/mol
- Monoisotopic mass
- 418.12750339
Names & identifiers
- Preferred name
- 2,2'-Sulfanediylbis[n'-(4-fluorobenzylidene)propanehydrazide]
- IUPAC
- N-[(4-fluorophenyl)methylideneamino]-2-[1-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanylpropanamide
Names & synonyms
MLS0026678406946-27-6CHEMBL1897510DTXSID802740652,2'-sulfanediylbis[n'-(4-fluorobenzylidene)propanehydrazide]HMS3089O21SMR0015575972,2'-Sulfanediylbis{N'-[(4-fluorophenyl)methylidene]propanehydrazide}
Database identifiers
- CAS
6946-27-6- PubChem CID
- 245148
- DTXSID
DTXSID80274065- ChEMBL
CHEMBL1897510
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 539
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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