Basic information
- CAS
87049-02-3- Standard SMILES
CC(=O)c1c(OCCCN2CCN(c3ccccc3)CC2)cccc1OCCCN1CCN(c2ccccc2)CC1- InChIKey
OBWQESKKJDUDJZ-UHFFFAOYSA-N- Molecular formula
- C34H44N4O3
- Average molar mass
- 556.7 g/mol
- Monoisotopic mass
- 556.34134128
Names & identifiers
- Preferred name
- Ethanone, 1-(2,6-bis(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-
- IUPAC
- 1-[2,6-bis[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]ethanone
Names & synonyms
BRN 4615850ETHANONE, 1-(2,6-BIS(3-(4-PHENYL-1-PIPERAZINYL)PROPOXY)PHENYL)-87049-02-31-(2,6-Bis(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)ethanoneDTXSID90236098RefChem:341080DTXCID901585891-{2,6-Bis[3-(4-phenylpiperazin-1-yl)propoxy]phenyl}ethan-1-one
Database identifiers
- CAS
87049-02-3- PubChem CID
- 55604
- DTXSID
DTXSID90236098
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
- 686
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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