Basic information
- CAS
87048-98-4- Standard SMILES
CC(=O)c1cc(OCCCN2CCN(C)CC2)ccc1OCCCN1CCN(C)CC1- InChIKey
WDETWRQQTJNGQY-UHFFFAOYSA-N- Molecular formula
- C24H40N4O3
- Average molar mass
- 432.6 g/mol
- Monoisotopic mass
- 432.31004115
Names & identifiers
- Preferred name
- Ethanone, 1-(2,5-bis(3-(4-methyl-1-piperazinyl)propoxy)phenyl)-
- IUPAC
- 1-[2,5-bis[3-(4-methylpiperazin-1-yl)propoxy]phenyl]ethanone
Names & synonyms
BRN 4577844ETHANONE, 1-(2,5-BIS(3-(4-METHYL-1-PIPERAZINYL)PROPOXY)PHENYL)-87048-98-41-(2,5-Bis(3-(4-methyl-1-piperazinyl)propoxy)phenyl)ethanoneDTXSID90236093RefChem:341062DTXCID901585841-{2,5-Bis[3-(4-methylpiperazin-1-yl)propoxy]phenyl}ethan-1-one
Database identifiers
- CAS
87048-98-4- PubChem CID
- 55600
- DTXSID
DTXSID90236093
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 48.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 519
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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