3-(3,4-Dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-carbothioic acid phenylamide

HCID 57891768
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Basic information

Standard SMILES
COc1ccc(-c2cn(C(=S)Nc3ccccc3)c3ncccc23)cc1OC
InChIKey
JLRHIBDRHGFFPG-UHFFFAOYSA-N
Molecular formula
C22H19N3O2S
Average molar mass
389.5 g/mol
Monoisotopic mass
389.11979803

Names & identifiers

Preferred name
3-(3,4-Dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-carbothioic acid phenylamide
IUPAC
3-(3,4-dimethoxyphenyl)-N-phenylpyrrolo[2,3-b]pyridine-1-carbothioamide

Names & synonyms

SCHEMBL4341719JLRHIBDRHGFFPG-UHFFFAOYSA-N3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-carbothioic acid phenylamide

Database identifiers

PubChem CID
57891768

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
80.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
28

Related reactions

2 records
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Compound notes

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