Ethanone, 1-(2,5-bis(3-(4-(3-chlorophenyl)-1-piperazinyl)-2-hydroxypropoxy)phenyl)-, tetrahydrochloride
Basic information
- CAS
87049-25-0- Standard SMILES
CC(=O)c1cc(OCC(O)CN2CCN(c3cccc(Cl)c3)CC2)ccc1OCC(O)CN1CCN(c2cccc(Cl)c2)CC1.Cl.Cl.Cl.Cl- InChIKey
ZZKCFWLDEOBKCY-UHFFFAOYSA-N- Molecular formula
- C34H46Cl6N4O5
- Average molar mass
- 803.5 g/mol
- Monoisotopic mass
- 800.159937
Names & identifiers
- Preferred name
- Ethanone, 1-(2,5-bis(3-(4-(3-chlorophenyl)-1-piperazinyl)-2-hydroxypropoxy)phenyl)-, tetrahydrochloride
- IUPAC
- 1-[2,5-bis[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone;tetrahydrochloride
Names & synonyms
87049-25-0Ethanone, 1-(2,5-bis(3-(4-(3-chlorophenyl)-1-piperazinyl)-2-hydroxypropoxy)phenyl)-, tetrahydrochloride1-(2,5-Bis(3-(4-(3-chlorophenyl)-1-piperazinyl)-2-hydroxypropoxy)phenyl)ethanone 4HClRefChem:341060DTXSID7010072921-(2,5-Bis{3-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy}phenyl)ethan-1-one--hydrogen chloride (1/4)
Database identifiers
- CAS
87049-25-0- PubChem CID
- 55632
- DTXSID
DTXSID701007292
Properties
Computed structural properties
- Topological polar surface area
- 89 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 13
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 891
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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