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2-[4-(2-Hydroxyethyl)piperazin-1-yl]-N-[2,4-dibromo-6-methyl-3-pyridyl]acetamide

HCID 11640660
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Cc1cc(Br)c(NC(=O)CN2CCN(CCO)CC2)c(Br)n1
InChIKey
FLWONYHWRXTBHH-UHFFFAOYSA-N
Molecular formula
C14H20Br2N4O2
Average molar mass
436.14 g/mol
Monoisotopic mass
433.9953

Names & identifiers

Preferred name
2-[4-(2-Hydroxyethyl)piperazin-1-yl]-N-[2,4-dibromo-6-methyl-3-pyridyl]acetamide
IUPAC
N-(2,4-dibromo-6-methyl-3-pyridinyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide

Names & synonyms

SCHEMBL4522249FLWONYHWRXTBHH-UHFFFAOYSA-N2-[4-(2-Hydroxyethyl)piperazin-1-yl]-N-[2,4-dibromo-6-methyl-3-pyridyl]acetamideN-[2,4-dibromo-6-methylpyridin-3-yl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide

Database identifiers

PubChem CID
11640660

Properties

Computed structural propertiesFilling in

XLogP
1.3
Topological polar surface area
68.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
22
Formal charge
0
Complexity
367

Related reactions

5 records
New reaction record
HRID 227517 reaction equation
HRID 227517As productuspto-grants-2009_07
HRID 227529 reaction equation
HRID 227529As reactantuspto-grants-2009_07
HRID 348557 reaction equation
HRID 348557As productuspto-grants-2007_02
HRID 348569 reaction equation
HRID 348569As reactantuspto-grants-2007_02
HRID 1565445 reaction equation
HRID 1565445As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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