Basic information
- Standard SMILES
COc1cc(O)c2cc(-c3cn4nc(OC)sc4n3)oc2c1- InChIKey
XUYVSAMSJCSGNW-UHFFFAOYSA-N- Molecular formula
- C14H11N3O4S
- Average molar mass
- 317.32 g/mol
Names & identifiers
- Preferred name
- 6-Methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)benzofuran-4-ol
- IUPAC
- 6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-ol
Names & synonyms
6-Methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)benzofuran-4-ol1476847-56-9CHEMBL3731736SCHEMBL15348469TQR0054XUYVSAMSJCSGNW-UHFFFAOYSA-NBDBM364745US9862730, Example 204
Database identifiers
- PubChem CID
- 72201709
- ChEMBL
CHEMBL3731736
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 418
Related reactions
18 records
Compound notes
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