3-[4-[2-fluoro-4-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]phenyl]piperazin-1-yl]propanenitrile
Basic information
- CAS
5791-78-6- Standard SMILES
C/C(=N/Nc1ccc(F)cc1)c1ccc(N2CCN(CCC#N)CC2)c(F)c1- InChIKey
BMSPKMXLTCNRRD-XYGWBWBKSA-N- Molecular formula
- C21H23F2N5
- Average molar mass
- 383.4 g/mol
- Monoisotopic mass
- 383.19215208
Names & identifiers
- Preferred name
- 3-[4-[2-fluoro-4-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]phenyl]piperazin-1-yl]propanenitrile
- IUPAC
- 3-[4-[2-fluoro-4-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]phenyl]piperazin-1-yl]propanenitrile
Names & synonyms
5791-78-63-[4-[2-fluoro-4-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]phenyl]piperazin-1-yl]propanenitrile3-(4-{2-fluoro-4-[N-(4-fluorophenyl)ethanehydrazonoyl]phenyl}-1-piperazinyl)propanenitrileAC1NSNMYDTXSID30416655SR-01000219919SR-01000219919-13-[4-(2-Fluoro-4-{(1Z)-1-[2-(4-fluorophenyl)hydrazinylidene]ethyl}phenyl)piperazin-1-yl]propanenitrile
Database identifiers
- CAS
5791-78-6- PubChem CID
- 5336928
- DTXSID
DTXSID30416655
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 558
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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