Basic information
- CAS
87049-00-1- Standard SMILES
CC(=O)c1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1OCCCN1CCN(c2ccccc2)CC1- InChIKey
QSFJDODKZHIOJM-UHFFFAOYSA-N- Molecular formula
- C34H44N4O3
- Average molar mass
- 556.7 g/mol
- Monoisotopic mass
- 556.34134128
Names & identifiers
- Preferred name
- Ethanone, 1-(2,4-bis(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-
- IUPAC
- 1-[2,4-bis[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]ethanone
Names & synonyms
BRN 4615748ETHANONE, 1-(2,4-BIS(3-(4-PHENYL-1-PIPERAZINYL)PROPOXY)PHENYL)-87049-00-11-(2,4-Bis(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)ethanoneDTXSID70236096RefChem:341033DTXCID701585871-{2,4-Bis[3-(4-phenylpiperazin-1-yl)propoxy]phenyl}ethan-1-one
Database identifiers
- CAS
87049-00-1- PubChem CID
- 55602
- DTXSID
DTXSID70236096
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 48.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 740
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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