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

HCID 19689529

Basic information

Standard SMILES
Cc1ccc(-c2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ncc(S)cn2)cc1
InChIKey
BXKGPEIKQRTOJB-UHFFFAOYSA-N
Molecular formula
C27H29N5O4S2
Average molar mass
551.7 g/mol

Names & identifiers

Preferred name
4-tert-butyl-N-{6-[2-(5-mercaptopyrimidin-2-yloxy)ethoxy]-5-(4-methylphenyl)pyrimidin-4-yl}benzenesulfonamide
IUPAC
4-tert-butyl-N-[5-(4-methylphenyl)-6-[2-(5-sulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]benzenesulfonamide

Names & synonyms

SCHEMBL8661143BXKGPEIKQRTOJB-UHFFFAOYSA-N4-tert-butyl-N-{6-[2-(5-mercaptopyrimidin-2-yloxy)ethoxy]-5-(4-methylphenyl)pyrimidin-4-yl}benzenesulfonamide

Database identifiers

PubChem CID
19689529

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
126 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
10
Heavy atoms
38

Related reactions

3 records

Compound notes

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