3-(2-Fluoro-4-methylsulfanyl-phenylamino)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid ethyl ester

HCID 59596604
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Basic information

Standard SMILES
CCOC(=O)c1[nH]c2ccncc2c1Nc1ccc(SC)cc1F
InChIKey
HNMSYDVEUWVDBQ-UHFFFAOYSA-N
Molecular formula
C17H16FN3O2S
Average molar mass
345.4 g/mol
Monoisotopic mass
345.0947261

Names & identifiers

Preferred name
3-(2-Fluoro-4-methylsulfanyl-phenylamino)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid ethyl ester
IUPAC
ethyl 3-(2-fluoro-4-methylsulfanylanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxylate

Names & synonyms

SCHEMBL1921009HNMSYDVEUWVDBQ-UHFFFAOYSA-N3-(2-Fluoro-4-methylsulfanyl-phenylamino)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid ethyl ester

Database identifiers

PubChem CID
59596604

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
92.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
24

Related reactions

3 records
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Compound notes

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