3-{3-[5-(5,6-Dichloro-1H-indol-2-yl)-2-methoxy-phenyl]-thioureido}-benzoic acid

HCID 10140976
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Basic information

Standard SMILES
COc1ccc(-c2cc3cc(Cl)c(Cl)cc3[nH]2)cc1NC(=S)Nc1cccc(C(=O)O)c1
InChIKey
UFFGUERPQYXZJV-UHFFFAOYSA-N
Molecular formula
C23H17Cl2N3O3S
Average molar mass
486.4 g/mol

Names & identifiers

Preferred name
3-{3-[5-(5,6-Dichloro-1H-indol-2-yl)-2-methoxy-phenyl]-thioureido}-benzoic acid
IUPAC
3-[[5-(5,6-dichloro-1H-indol-2-yl)-2-methoxyphenyl]carbamothioylamino]benzoic acid

Names & synonyms

SCHEMBL6493773UFFGUERPQYXZJV-UHFFFAOYSA-N3-{3-[5-(5,6-Dichloro-1H-indol-2-yl)-2-methoxy-phenyl]-thioureido}-benzoic acid

Database identifiers

PubChem CID
10140976

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
118 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
32

Related reactions

2 records
New reaction record

Compound notes

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