Basic information
- CAS
86745-95-1- Standard SMILES
Cc1ccccc1N1CCN(CCCNC(=O)COc2cc(C)c(Br)c(C)c2)CC1.Cl.Cl- InChIKey
JLBQAXCNOSDOLP-UHFFFAOYSA-N- Molecular formula
- C24H34BrCl2N3O2
- Average molar mass
- 547.4 g/mol
- Monoisotopic mass
- 545.12115
Names & identifiers
- Preferred name
- Acetamide, 2-(4-bromo-3,5-dimethylphenoxy)-N-(3-(4-(2-methylphenyl)-1-piperazinyl)propyl)-, dihydrochloride
- IUPAC
- 2-(4-bromo-3,5-dimethylphenoxy)-N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]acetamide;dihydrochloride
Names & synonyms
N-(3-(4-(2-Tolyl)piperazino)propyl)-4-bromo-3,5-dimethylphenoxyacetamide dihydrochloride86745-95-12-(4-Bromo-3,5-dimethylphenoxy)-N-(3-(4-(2-methylphenyl)-1-piperazinyl)propyl)acetamide 2HClAcetamide, 2-(4-bromo-3,5-dimethylphenoxy)-N-(3-(4-(2-methylphenyl)-1-piperazinyl)propyl)-, dihydrochlorideRefChem:314438DTXSID801007071(4-Bromo-3,5-dimethylphenoxy)-N-{3-[4-(2-methylphenyl)piperazin-1-yl]propyl}ethanimidic acid--hydrogen chloride (1/2)2-(4-Bromo-3,5-dimethylphenoxy)-N-{3-[4-(2-methylphenyl)piperazin-1-yl]propyl}ethanimidic acid--hydrogen chloride (1/2)
Database identifiers
- CAS
86745-95-1- PubChem CID
- 55535
- DTXSID
DTXSID801007071
Properties
Computed structural properties
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 515
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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