Basic information
- CAS
708279-76-9- Standard SMILES
c1ccc(-c2nnc3sc(-c4cc5ccccc5o4)nn23)cc1- InChIKey
GVLSMMHOYGMDPM-UHFFFAOYSA-N- Molecular formula
- C17H10N4OS
- Average molar mass
- 318.4 g/mol
Names & identifiers
- Preferred name
- 6-(1-Benzofuran-2-yl)-3-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- IUPAC
- 6-(1-benzofuran-2-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- English name
- 6-(1-benzofuran-2-yl)-3-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- Molecular formula
- C17H10N4OS
- Molecular weight
- 318.35
Names & synonyms
6-(1-benzofuran-2-yl)-3-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole6-(1-benzofuran-2-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoleMLS000050250CHEMBL1612686HMS2446C03STK191958AKOS001700127SMR000077420AO-365/42612429708279-76-91,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 6-(2-benzofuranyl)-3-phenyl-
Database identifiers
- CAS
708279-76-9- ChEMBL
CHEMBL1612686
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 433
Chemistry & industry
Suppliers2 total
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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