7-iodo-5-(toluene-4-sulfonyl)-2-(3,4,5-trimethoxy-phenyl)-5H-pyrrolo[2,3-b]pyrazine

HCID 59540744
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Basic information

Standard SMILES
COc1cc(-c2cnc3c(n2)c(I)cn3S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC
InChIKey
DXQOTICYADSMCX-UHFFFAOYSA-N
Molecular formula
C22H20IN3O5S
Average molar mass
565.4 g/mol

Names & identifiers

Preferred name
7-iodo-5-(toluene-4-sulfonyl)-2-(3,4,5-trimethoxy-phenyl)-5H-pyrrolo[2,3-b]pyrazine
IUPAC
7-iodo-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine

Names & synonyms

SCHEMBL2279727DXQOTICYADSMCX-UHFFFAOYSA-N7-iodo-5-(toluene-4-sulfonyl)-2-(3,4,5-trimethoxy-phenyl)-5H-pyrrolo[2,3-b]pyrazine

Database identifiers

PubChem CID
59540744

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
101 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
32

Related reactions

4 records
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Compound notes

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