Ethyl 2-(2-amino-4,5-difluoroanilino)benzo[b]thiophene-3-carboxylate

HCID 18422150
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Basic information

Standard SMILES
CCOC(=O)c1c(Nc2cc(F)c(F)cc2N)sc2ccccc12
InChIKey
ZUGGKNNHJQTQNS-UHFFFAOYSA-N
Molecular formula
C17H14F2N2O2S
Average molar mass
348.4 g/mol
Monoisotopic mass
348.07440519

Names & identifiers

Preferred name
Ethyl 2-(2-amino-4,5-difluoroanilino)benzo[b]thiophene-3-carboxylate
IUPAC
ethyl 2-(2-amino-4,5-difluoroanilino)-1-benzothiophene-3-carboxylate

Names & synonyms

SCHEMBL7002745ZUGGKNNHJQTQNS-UHFFFAOYSA-Nethyl 2-(2-amino-4,5-difluoroanilino)benzo[b]thiophene-3-carboxylate

Database identifiers

PubChem CID
18422150

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
92.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
24

Related reactions

4 records
New reaction record

Linked notes

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