5-((3,5-dichloropyridin-4-yl)thio)-N-(3-methoxybenzyl)-N-methyl-4-nitrothiophene-2-carboxamide

HCID 46932707
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Basic information

Standard SMILES
COc1cccc(CN(C)C(=O)c2cc([N+](=O)[O-])c(Sc3c(Cl)cncc3Cl)s2)c1
InChIKey
XPSYBYXKDIMZNS-UHFFFAOYSA-N
Molecular formula
C19H15Cl2N3O4S2
Average molar mass
484.4 g/mol

Names & identifiers

Preferred name
5-((3,5-dichloropyridin-4-yl)thio)-N-(3-methoxybenzyl)-N-methyl-4-nitrothiophene-2-carboxamide
IUPAC
5-[(3,5-dichloro-4-pyridinyl)sulfanyl]-N-[(3-methoxyphenyl)methyl]-N-methyl-4-nitrothiophene-2-carboxamide

Names & synonyms

SCHEMBL2680098XPSYBYXKDIMZNS-UHFFFAOYSA-N5-((3,5-dichloropyridin-4-yl)thio)-N-(3-methoxybenzyl)-N-methyl-4-nitrothiophene-2-carboxamide

Database identifiers

PubChem CID
46932707

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
142 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
30

Related reactions

1 records
New reaction record

Linked notes

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