Basic information
- CAS
21263-22-9- Standard SMILES
CCOC(Cc1ccccc1)N1CCN(CCC(=O)c2cccs2)CC1.Cl.Cl- InChIKey
CNBHRTMKMYFLFS-UHFFFAOYSA-N- Molecular formula
- C21H30Cl2N2O2S
- Average molar mass
- 445.4 g/mol
- Monoisotopic mass
- 444.1405048
Names & identifiers
- Preferred name
- 1-Propanone, 3-(4-(beta-ethoxyphenethyl)-1-piperazinyl)-1-(2-thienyl)-, dihydrochloride
- IUPAC
- 3-[4-(1-ethoxy-2-phenylethyl)piperazin-1-yl]-1-thiophen-2-ylpropan-1-one;dihydrochloride
Names & synonyms
21263-22-93-(4-(beta-Ethoxyphenethyl)-1-piperazinyl)-1-(2-thienyl)-1-propanone dihydrochloride1-Propanone, 3-(4-(beta-ethoxyphenethyl)-1-piperazinyl)-1-(2-thienyl)-, dihydrochlorideRefChem:234959DTXSID209437033-[4-(1-Ethoxy-2-phenylethyl)piperazin-1-yl]-1-(thiophen-2-yl)propan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
21263-22-9- PubChem CID
- 210465
- DTXSID
DTXSID20943703
Properties
Computed structural properties
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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