4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-{2-(pyrimidin-4-yloxy)ethoxy}pyrimidin-4-yl]benzenesulfonamide

HCID 11813644

Basic information

Standard SMILES
COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ccncn2)c1
InChIKey
PKGLDMGJFAMNST-UHFFFAOYSA-N
Molecular formula
C27H29N5O6S
Average molar mass
551.6 g/mol

Names & identifiers

Preferred name
4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-{2-(pyrimidin-4-yloxy)ethoxy}pyrimidin-4-yl]benzenesulfonamide
IUPAC
4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-(2-pyrimidin-4-yloxyethoxy)pyrimidin-4-yl]benzenesulfonamide

Names & synonyms

CHEMBL324246SCHEMBL8656838PKGLDMGJFAMNST-UHFFFAOYSA-NBDBM501050384-tert-butyl-N-[5-(3-methoxyphenoxy)-6-{2-(pyrimidin-4-yloxy)ethoxy}pyrimidin-4-yl]benzenesulfonamide4-tert-Butyl-N-{5-(3-methoxy-phenoxy)-6-[2-(pyrimidin-4-yloxy)-ethoxy]-pyrimidin-4-yl}-benzenesulfonamide

Database identifiers

PubChem CID
11813644
ChEMBL
CHEMBL324246

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
143 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
11
Rotatable bonds
12
Heavy atoms
39

Related reactions

3 records

Linked notes

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