Basic information
- CAS
87049-36-3- Standard SMILES
CC(=O)OC(COc1ccc(C(C)=O)c(OCC(CN2CCN(c3ccccc3)CC2)OC(C)=O)c1)CN1CCN(c2ccccc2)CC1.Cl.Cl.Cl.Cl- InChIKey
BUYNFDIQLSTINC-UHFFFAOYSA-N- Molecular formula
- C38H52Cl4N4O7
- Average molar mass
- 818.6 g/mol
- Monoisotopic mass
- 816.259011
Names & identifiers
- Preferred name
- Ethanone, 1-(2,4-bis(2-(acetyloxy)-3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-, tetrahydrochloride
- IUPAC
- [1-[4-acetyl-3-[2-acetyloxy-3-(4-phenylpiperazin-1-yl)propoxy]phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-yl] acetate;tetrahydrochloride
Names & synonyms
Ethanone, 1-(2,4-bis(2-(acetyloxy)-3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-, tetrahydrochloride87049-36-32,4-Bis-(2-acetoxy-3-(N(sub 4)-phenylpiperazinyl)propoxy)acetophenone tetrahydrochlorideRefChem:341020DTXSID501007303[(4-Acetyl-1,3-phenylene)bis(oxy)-3-(4-phenylpiperazin-1-yl)propane-1,2-diyl] diacetate--hydrogen chloride (1/4)
Database identifiers
- CAS
87049-36-3- PubChem CID
- 55643
- DTXSID
DTXSID501007303
Properties
Computed structural properties
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 17
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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