4-(4-ethoxyphenyl)-4-oxo-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]butanehydrazide
Basic information
- CAS
737814-97-0- Standard SMILES
CCOc1ccc(C(=O)CCC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1- InChIKey
DKBQVLSONMKPBE-UHFFFAOYSA-N- Molecular formula
- C25H32N4O4
- Average molar mass
- 452.5 g/mol
- Monoisotopic mass
- 452.24235551
Names & identifiers
- Preferred name
- 4-(4-ethoxyphenyl)-4-oxo-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]butanehydrazide
- IUPAC
- 4-(4-ethoxyphenyl)-4-oxo-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]butanehydrazide
Names & synonyms
4-(4-ethoxyphenyl)-4-oxo-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]butanehydrazideMLS002246113CHEMBL1878044DTXSID301323630HMS3093H14AKOS033966752737814-97-0SMR001309736Z26514208
Database identifiers
- CAS
737814-97-0- PubChem CID
- 3937485
- DTXSID
DTXSID301323630- ChEMBL
CHEMBL1878044
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 91 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 622
Experimental & physicochemical properties
Solubility61.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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