Basic information
- CAS
794550-17-7- Standard SMILES
Cc1cccc(-c2nnc3sc(Cc4ccc(F)cc4)nn23)c1- InChIKey
IGDSGSGNDVLRIP-UHFFFAOYSA-N- Molecular formula
- C17H13FN4S
- Average molar mass
- 324.4 g/mol
Names & identifiers
- Preferred name
- 6-(4-Fluorobenzyl)-3-(3-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- IUPAC
- 6-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- English name
- 6-(4-fluorobenzyl)-3-(3-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- Molecular formula
- C17H13FN4S
- Molecular weight
- 324.3753232
Names & synonyms
6-(4-fluorobenzyl)-3-(3-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole6-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoleAP-501/43243798
Database identifiers
- CAS
794550-17-7
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 404
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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