2-{4-[N-(5,6-diphenylpyrazin-2-yl)-N-ethylamino]butyloxy}acetic Acid Tert-Butyl Ester

HCID 69355441
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Basic information

Standard SMILES
CCN(CCCCOCC(=O)OC(C)(C)C)c1cnc(-c2ccccc2)c(-c2ccccc2)n1
InChIKey
IMYUIRRKYZVGIV-UHFFFAOYSA-N
Molecular formula
C28H35N3O3
Average molar mass
461.6 g/mol

Names & identifiers

Preferred name
2-{4-[N-(5,6-diphenylpyrazin-2-yl)-N-ethylamino]butyloxy}acetic Acid Tert-Butyl Ester
IUPAC
tert-butyl 2-[4-[(5,6-diphenylpyrazin-2-yl)-ethylamino]butoxy]acetate

Names & synonyms

Selexipag Impurity 62SCHEMBL5214425IMYUIRRKYZVGIV-UHFFFAOYSA-N2-{4-[N-(5,6-diphenylpyrazin-2-yl)-N-ethylamino]butyloxy}acetic Acid Tert-Butyl Ester

Database identifiers

PubChem CID
69355441

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
64.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
13
Heavy atoms
34

Related reactions

2 records
New reaction record

Compound notes

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