1-Propanone, 3-(4-(beta-isobutoxyphenethyl)-1-piperazinyl)-1-(2-thienyl)-, dihydrochloride
Basic information
- CAS
21263-36-5- Standard SMILES
CC(C)(C)OC(Cc1ccccc1)N1CCN(CCC(=O)c2cccs2)CC1.Cl.Cl- InChIKey
ZLAAJKRFVKXBAD-UHFFFAOYSA-N- Molecular formula
- C23H34Cl2N2O2S
- Average molar mass
- 473.5 g/mol
- Monoisotopic mass
- 472.1718049
Names & identifiers
- Preferred name
- 1-Propanone, 3-(4-(beta-isobutoxyphenethyl)-1-piperazinyl)-1-(2-thienyl)-, dihydrochloride
- IUPAC
- 3-[4-[1-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]piperazin-1-yl]-1-thiophen-2-ylpropan-1-one;dihydrochloride
Names & synonyms
21263-36-53-(4-(beta-Isobutoxyphenethyl)-1-piperazinyl)-1-(2-thienyl)-1-propanone dihydrochloride1-Propanone, 3-(4-(beta-isobutoxyphenethyl)-1-piperazinyl)-1-(2-thienyl)-, dihydrochlorideRefChem:234961DTXSID509437163-[4-(1-tert-Butoxy-2-phenylethyl)piperazin-1-yl]-1-(thiophen-2-yl)propan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
21263-36-5- PubChem CID
- 210491
- DTXSID
DTXSID50943716
Properties
Computed structural properties
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 479
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…