Basic information
- CAS
21263-10-5- Standard SMILES
CC(CN1CCN(C(Cc2ccccc2)OC(C)(C)C)CC1)C(=O)c1cccs1.Cl.Cl- InChIKey
DPEMSRQYYFUVIB-UHFFFAOYSA-N- Molecular formula
- C24H36Cl2N2O2S
- Average molar mass
- 487.5 g/mol
- Monoisotopic mass
- 486.187455
Names & identifiers
- Preferred name
- 1-Propanone, 3-(4-(beta-isobutoxyphenethyl)-1-piperazinyl)-2-methyl-1-(2-thienyl)-, dihydrochloride
- IUPAC
- 2-methyl-3-[4-[1-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]piperazin-1-yl]-1-thiophen-2-ylpropan-1-one;dihydrochloride
Names & synonyms
21263-10-51-Propanone, 3-(4-(beta-isobutoxyphenethyl)-1-piperazinyl)-2-methyl-1-(2-thienyl)-, dihydrochlorideRefChem:234962DTXSID109436913-[4-(1-tert-Butoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-(thiophen-2-yl)propan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
21263-10-5- PubChem CID
- 210441
- DTXSID
DTXSID10943691
Properties
Computed structural properties
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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