(RS)-2-[1-(5,7-Dichloro-benzofuran-2-yl)-methanoyl]-4-methyl-piperazine-1-carboxylic acid tert-butyl ester

HCID 66968136
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Basic information

Standard SMILES
CN1CCN(C(=O)OC(C)(C)C)C(C(=O)c2cc3cc(Cl)cc(Cl)c3o2)C1
InChIKey
DPHMGQAXLFFZDW-UHFFFAOYSA-N
Molecular formula
C19H22Cl2N2O4
Average molar mass
413.3 g/mol
Monoisotopic mass
412.0956626

Names & identifiers

Preferred name
(RS)-2-[1-(5,7-Dichloro-benzofuran-2-yl)-methanoyl]-4-methyl-piperazine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 2-(5,7-dichloro-1-benzofuran-2-carbonyl)-4-methylpiperazine-1-carboxylate

Names & synonyms

SCHEMBL1256763DPHMGQAXLFFZDW-UHFFFAOYSA-N(RS)-2-[1-(5,7-Dichloro-benzofuran-2-yl)-methanoyl]-4-methyl-piperazine-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
66968136

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
63 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
27

Related reactions

6 records
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Compound notes

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