2-(4-benzylpiperazine-1,4-diium-1-yl)-N'-[1-(4-hydroxyphenyl)ethenyl]acetohydrazide
Basic information
- CAS
6841-75-4- Standard SMILES
C=C(NNC(=O)C[NH+]1CC[NH+](Cc2ccccc2)CC1)c1ccc(O)cc1- InChIKey
RRSUELYFDLWEPJ-UHFFFAOYSA-P- Molecular formula
- C21H28N4O2+2
- Average molar mass
- 368.5 g/mol
- Monoisotopic mass
- 368.22122615
Names & identifiers
- Preferred name
- 2-(4-benzylpiperazine-1,4-diium-1-yl)-N'-[1-(4-hydroxyphenyl)ethenyl]acetohydrazide
- IUPAC
- 2-(4-benzylpiperazine-1,4-diium-1-yl)-N'-[1-(4-hydroxyphenyl)ethenyl]acetohydrazide
Names & synonyms
6841-75-42-(4-benzylpiperazine-1,4-diium-1-yl)-N'-[1-(4-hydroxyphenyl)ethenyl]acetohydrazideDTXSID104095201-Benzyl-4-(2-{2-[1-(4-hydroxyphenyl)ethen-1-yl]hydrazin-1-yl}-2-oxoethyl)piperazine-1,4-diium
Database identifiers
- CAS
6841-75-4- PubChem CID
- 5201102
- DTXSID
DTXSID10409520
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 2
- Complexity
- 477
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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