5-(4-Benzyloxy-2,3-difluorophenyl)-2-(6-hexyloxypyridin-3-yl)pyrimidine

HCID 17869398
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Basic information

Standard SMILES
CCCCCCOc1ccc(-c2ncc(-c3ccc(OCc4ccccc4)c(F)c3F)cn2)cn1
InChIKey
CTNBKEDKGFRYRD-UHFFFAOYSA-N
Molecular formula
C28H27F2N3O2
Average molar mass
475.5 g/mol

Names & identifiers

Preferred name
5-(4-Benzyloxy-2,3-difluorophenyl)-2-(6-hexyloxypyridin-3-yl)pyrimidine
IUPAC
5-(2,3-difluoro-4-phenylmethoxyphenyl)-2-(6-hexoxy-3-pyridinyl)pyrimidine

Names & synonyms

SCHEMBL7877996CTNBKEDKGFRYRD-UHFFFAOYSA-N5-(4-benzyloxy-2,3-difluorophenyl)-2-(6-hexyloxypyridin-3-yl)pyrimidine

Database identifiers

PubChem CID
17869398

Properties

Computed structural properties

XLogP
6.7
Topological polar surface area
57.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
11
Heavy atoms
35

Related reactions

2 records
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Compound notes

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