(2-Ethoxy-naphthalen-1-yl)-[3-(4-methanesulfonyl-phenyl)-pyrrolo[2,3-b]pyridin-1-yl]-methanone

HCID 57891760
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Basic information

Standard SMILES
CCOc1ccc2ccccc2c1C(=O)n1cc(-c2ccc(S(C)(=O)=O)cc2)c2cccnc21
InChIKey
KSARBEXDKFIDPH-UHFFFAOYSA-N
Molecular formula
C27H22N2O4S
Average molar mass
470.5 g/mol

Names & identifiers

Preferred name
(2-Ethoxy-naphthalen-1-yl)-[3-(4-methanesulfonyl-phenyl)-pyrrolo[2,3-b]pyridin-1-yl]-methanone
IUPAC
(2-ethoxynaphthalen-1-yl)-[3-(4-methylsulfonylphenyl)pyrrolo[2,3-b]pyridin-1-yl]methanone

Names & synonyms

SCHEMBL4346775KSARBEXDKFIDPH-UHFFFAOYSA-N(2-Ethoxy-naphthalen-1-yl)-[3-(4-methanesulfonyl-phenyl)-pyrrolo[2,3-b]pyridin-1-yl]-methanone

Database identifiers

PubChem CID
57891760

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
86.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
34

Related reactions

2 records
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Compound notes

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