Basic information
- CAS
86746-04-5- Standard SMILES
CN1CCN(CCCNC(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1.Cl.Cl- InChIKey
VKCGQLZNQWPKAI-UHFFFAOYSA-N- Molecular formula
- C16H24Cl5N3O2
- Average molar mass
- 467.6 g/mol
- Monoisotopic mass
- 465.031115
Names & identifiers
- Preferred name
- Acetamide, N-(3-(4-methyl-1-piperazinyl)propyl)-2-(2,4,5-trichlorophenoxy)-, hydrochloride, hydrate (1:2:1)
- IUPAC
- N-[3-(4-methylpiperazin-1-yl)propyl]-2-(2,4,5-trichlorophenoxy)acetamide;dihydrochloride
Names & synonyms
86746-04-5Acetamide, N-(3-(4-methyl-1-piperazinyl)propyl)-2-(2,4,5-trichlorophenoxy)-, hydrochloride, hydrate (1:2:1)DTXSID60235795N-(3-(4-Methyl-1-piperazinyl)propyl)-2-(2,4,5-trichlorophenoxy)acetamide HCl hydrate (1:2:1)RefChem:315163DTXCID90158286N-[3-(4-Methylpiperazin-1-yl)propyl]-2-(2,4,5-trichlorophenoxy)acetamide--hydrogen chloride (1/2)
Database identifiers
- CAS
86746-04-5- PubChem CID
- 55545
- DTXSID
DTXSID60235795
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
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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