3-{3-[2-Methoxy-5-(pyridin-3-ylcarbamoyl)-phenyl]-thioureido}-benzoic acid

HCID 53771017
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Basic information

Standard SMILES
COc1ccc(C(=O)Nc2cccnc2)cc1NC(=S)Nc1cccc(C(=O)O)c1
InChIKey
DOPRRURZDJSZRS-UHFFFAOYSA-N
Molecular formula
C21H18N4O4S
Average molar mass
422.5 g/mol

Names & identifiers

Preferred name
3-{3-[2-Methoxy-5-(pyridin-3-ylcarbamoyl)-phenyl]-thioureido}-benzoic acid
IUPAC
3-[[2-methoxy-5-(pyridin-3-ylcarbamoyl)phenyl]carbamothioylamino]benzoic acid

Names & synonyms

SCHEMBL6809718DOPRRURZDJSZRS-UHFFFAOYSA-N3-{3-[2-Methoxy-5-(pyridin-3-ylcarbamoyl)-phenyl]-thioureido}-benzoic acid

Database identifiers

PubChem CID
53771017

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
145 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
30

Related reactions

1 records
New reaction record

Compound notes

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