6-(4-Chlorophenyl)-3-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Basic information
- CAS
724436-15-1- Standard SMILES
Fc1cccc(-c2nnc3sc(-c4ccc(Cl)cc4)nn23)c1- InChIKey
VPGXYTABQBPOKR-UHFFFAOYSA-N- Molecular formula
- C15H8ClFN4S
- Average molar mass
- 330.8 g/mol
- Monoisotopic mass
- 330.0142233
Names & identifiers
- Preferred name
- 6-(4-Chlorophenyl)-3-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- IUPAC
- 6-(4-chlorophenyl)-3-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- English name
- 6-(4-chlorophenyl)-3-(3-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- Molecular formula
- C15H8ClFN4S
- Molecular weight
- 330.77
Names & synonyms
6-(4-chlorophenyl)-3-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole6-(4-chlorophenyl)-3-(3-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoleVPGXYTABQBPOKR-UHFFFAOYSA-NAKOS005455533AP-501/431793091,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 6-(4-chlorophenyl)-3-(3-fluorophenyl)-
Database identifiers
- CAS
724436-15-1- PubChem CID
- 850882
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- pka
- -1.62 · -1.62±0.50(Predicted)
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Compound notes
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