Basic information
- CAS
63990-76-1- Standard SMILES
COc1ccccc1N1CCN(CC(COc2ccccc2C(C)=O)OC(C)=O)CC1- InChIKey
WDMDRQDYTJNZNG-UHFFFAOYSA-N- Molecular formula
- C24H30N2O5
- Average molar mass
- 426.5 g/mol
- Monoisotopic mass
- 426.21547206
Names & identifiers
- Preferred name
- Acetophenone, 2'-((2-hydroxy-3-(4-(2-methoxyphenyl)piperazinyl))propoxy)-, acetate
- IUPAC
- [1-(2-acetylphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-yl] acetate
Names & synonyms
BRN 08650021-(o-Acetylphenoxy)-2-acetoxy-3-(N(sup 4)-(o-methoxyphenyl)piperazinyl)propane63990-76-1Acetophenone, 2'-((2-hydroxy-3-(4-(2-methoxyphenyl)piperazinyl))propoxy)-, acetateRefChem:316869DTXSID009817841-(2-Acetylphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-yl acetate
Database identifiers
- CAS
63990-76-1- PubChem CID
- 46189
- DTXSID
DTXSID00981784- Nikkaji
- J90.748K
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 578
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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