3-(4-Fluorobenzyl)-6-(2-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
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Basic information
- CAS
724434-12-2- Standard SMILES
Fc1ccc(Cc2nnc3sc(-c4ccccc4F)nn23)cc1- InChIKey
BMUZVAUPICFUSR-UHFFFAOYSA-N- Molecular formula
- C16H10F2N4S
- Average molar mass
- 328.3 g/mol
- Monoisotopic mass
- 328.05942383
Names & identifiers
- Preferred name
- 3-(4-Fluorobenzyl)-6-(2-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- IUPAC
- 6-(2-fluorophenyl)-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- English name
- 3-(4-fluorobenzyl)-6-(2-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- Molecular formula
- C16H10F2N4S
- Molecular weight
- 328.3392064
Names & synonyms
3-(4-fluorobenzyl)-6-(2-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole6-(2-fluorophenyl)-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoleAP-501/42682703
Database identifiers
- CAS
724434-12-2- PubChem CID
- 850639
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
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Compound notes
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