Ethanone, 1-(2,4-bis(2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-
Basic information
- CAS
87049-22-7- Standard SMILES
CC(=O)c1ccc(OCC(O)CN2CCN(c3ccccc3)CC2)cc1OCC(O)CN1CCN(c2ccccc2)CC1- InChIKey
DSGYTJCWROQQCG-UHFFFAOYSA-N- Molecular formula
- C34H44N4O5
- Average molar mass
- 588.7 g/mol
- Monoisotopic mass
- 588.33117052
Names & identifiers
- Preferred name
- Ethanone, 1-(2,4-bis(2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-
- IUPAC
- 1-[2,4-bis[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]ethanone
Names & synonyms
BRN 46210741-(2,4-Bis(2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy)phenyl)ethanone2,4-Bis((2-hydroxy-4-phenylpiperazinyl)propoxy)acetophenone87049-22-7ETHANONE, 1-(2,4-BIS(2-HYDROXY-3-(4-PHENYL-1-PIPERAZINYL)PROPOXY)PHENYL)-RefChem:341026DTXSID0010072891-{2,4-Bis[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl}ethan-1-one
Database identifiers
- CAS
87049-22-7- PubChem CID
- 55629
- DTXSID
DTXSID001007289
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 89 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 13
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 807
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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