Acetamide, 2-(4-bromo-3,5-dimethylphenoxy)-N-(3-(4-methyl-1-piperazinyl)propyl)-, hydrochloride, hydrate (1:2:1)
Basic information
- CAS
86746-06-7- Standard SMILES
Cc1cc(OCC(=O)NCCCN2CCN(C)CC2)cc(C)c1Br.Cl.Cl- InChIKey
FORCSLARLRNTDF-UHFFFAOYSA-N- Molecular formula
- C18H30BrCl2N3O2
- Average molar mass
- 471.3 g/mol
- Monoisotopic mass
- 469.08985
Names & identifiers
- Preferred name
- Acetamide, 2-(4-bromo-3,5-dimethylphenoxy)-N-(3-(4-methyl-1-piperazinyl)propyl)-, hydrochloride, hydrate (1:2:1)
- IUPAC
- 2-(4-bromo-3,5-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide;dihydrochloride
Names & synonyms
86746-06-7Acetamide, 2-(4-bromo-3,5-dimethylphenoxy)-N-(3-(4-methyl-1-piperazinyl)propyl)-, hydrochloride, hydrate (1:2:1)DTXSID802357972-(4-Bromo-3,5-dimethylphenoxy)-N-(3-(4-methyl-1-piperazinyl)propyl)acetamide HCl H2O (1:2:1)RefChem:314439DTXCID101582882-(4-Bromo-3,5-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide--hydrogen chloride (1/2)
Database identifiers
- CAS
86746-06-7- PubChem CID
- 55549
- DTXSID
DTXSID80235797
Properties
Computed structural properties
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 376
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Compound notes
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