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

HCID 19689502

Basic information

Standard SMILES
COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ccnc(SC)n2)c1
InChIKey
JCRMVUAPZLDYQW-UHFFFAOYSA-N
Molecular formula
C28H31N5O6S2
Average molar mass
597.7 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL8656803JCRMVUAPZLDYQW-UHFFFAOYSA-N4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-{2-(2-methylthiopyrimidin-4-yloxy)ethoxy}pyrimidin-4-yl]benzenesulfonamide

Database identifiers

PubChem CID
19689502

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
168 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
12
Rotatable bonds
13
Heavy atoms
41

Related reactions

3 records

Linked notes

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