4-{3-[5-(1H-Indol-2-yl)-2-methoxy-phenyl]-thioureido}-benzoic acid
Basic information
- Standard SMILES
COc1ccc(-c2cc3ccccc3[nH]2)cc1NC(=S)Nc1ccc(C(=O)O)cc1- InChIKey
SXRIGBQBTVFRRV-UHFFFAOYSA-N- Molecular formula
- C23H19N3O3S
- Average molar mass
- 417.5 g/mol
- Monoisotopic mass
- 417.11471265
Names & identifiers
- Preferred name
- 4-{3-[5-(1H-Indol-2-yl)-2-methoxy-phenyl]-thioureido}-benzoic acid
- IUPAC
- 4-[[5-(1H-indol-2-yl)-2-methoxyphenyl]carbamothioylamino]benzoic acid
Names & synonyms
SCHEMBL6494681SXRIGBQBTVFRRV-UHFFFAOYSA-N4-{3-[5-(1H-Indol-2-yl)-2-methoxy-phenyl]-thioureido}-benzoic acid
Database identifiers
- PubChem CID
- 10136729
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 611
Related reactions
2 records
Compound notes
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