Basic information
- CAS
66922-71-2- Standard SMILES
COc1cc(C(=O)CN2CCN(c3ncccn3)CC2)cc(OC)c1OC.Cl.Cl- InChIKey
HUKJJFWNGNBQQO-UHFFFAOYSA-N- Molecular formula
- C19H26Cl2N4O4
- Average molar mass
- 445.3 g/mol
- Monoisotopic mass
- 444.1331107
Names & identifiers
- Preferred name
- Acetophenone, 2-(4-(2-pyrimidyl)piperazinyl)-3',4',5'-trimethoxy-, dihydrochloride
- IUPAC
- 2-(4-pyrimidin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone;dihydrochloride
Names & synonyms
Acetophenone, 2-(4-(2-pyrimidyl)piperazinyl)-3',4',5'-trimethoxy-, dihydrochlorideDTXSID802170731-(2-Pyrimidyl)-4-(3,4,5-trimethoxybenzoylmethyl)piperazine dihydrochloride2-(4-(2-Pyrimidyl)piperazinyl)-3',4',5'-trimethoxyacetophenone dihydrochloridePiperazine, 1-(2-pyrimidyl)-4-(3,4,5-trimethyoxybenzoylmethyl)-, dihydrochlorideRefChem:316902DTXCID8013956466922-71-22-[4-(Pyrimidin-2-yl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)ethan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
66922-71-2- PubChem CID
- 48375
- DTXSID
DTXSID80217073
Properties
Computed structural properties
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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