Methyl 3-amino-4-(3-(1,3-dioxoisoindolin-2-yl)propoxy)benzo[b]thiophene-2-carboxylate

HCID 67265156
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Basic information

Standard SMILES
COC(=O)c1sc2cccc(OCCCN3C(=O)c4ccccc4C3=O)c2c1N
InChIKey
ZNAXEQIXDGZOTB-UHFFFAOYSA-N
Molecular formula
C21H18N2O5S
Average molar mass
410.4 g/mol

Names & identifiers

Preferred name
Methyl 3-amino-4-(3-(1,3-dioxoisoindolin-2-yl)propoxy)benzo[b]thiophene-2-carboxylate
IUPAC
methyl 3-amino-4-[3-(1,3-dioxoisoindol-2-yl)propoxy]-1-benzothiophene-2-carboxylate

Names & synonyms

SCHEMBL2063754ZNAXEQIXDGZOTB-UHFFFAOYSA-Nmethyl 3-amino-4-(3-(1,3-dioxoisoindolin-2-yl)propoxy)benzo [b]thiophene-2-carboxylatemethyl 3-amino-4-(3-(1,3-dioxoisoindolin-2-yl)propoxy)benzo[b]thiophene-2-carboxylate

Database identifiers

PubChem CID
67265156

Properties

Computed structural properties

XLogP
4
Topological polar surface area
127 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
29

Related reactions

1 records
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Compound notes

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