2-(Benzofuran-2-carbonylamino)-4-(4-methyl-3-nitro-phenyl)thiophene-3-carboxylic acid

HCID 59536014
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Basic information

Standard SMILES
Cc1ccc(-c2csc(NC(=O)c3cc4ccccc4o3)c2C(=O)O)cc1[N+](=O)[O-]
InChIKey
GQKWUDREHWRVCO-UHFFFAOYSA-N
Molecular formula
C21H14N2O6S
Average molar mass
422.4 g/mol
Monoisotopic mass
422.05725734

Names & identifiers

Preferred name
2-(Benzofuran-2-carbonylamino)-4-(4-methyl-3-nitro-phenyl)thiophene-3-carboxylic acid
IUPAC
2-(1-benzofuran-2-carbonylamino)-4-(4-methyl-3-nitrophenyl)thiophene-3-carboxylic acid

Names & synonyms

SCHEMBL1906688GQKWUDREHWRVCO-UHFFFAOYSA-N2-(benzofuran-2-carbonylamino)-4-(4-methyl-3-nitro-phenyl)thiophene-3-carboxylic acid

Database identifiers

PubChem CID
59536014

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
154 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
30

Related reactions

3 records
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Compound notes

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