Basic information
- CAS
951941-46-1- Standard SMILES
Clc1ccc(-c2nn3c(-c4ccc5ccccc5n4)nnc3s2)cc1- InChIKey
RNIKTROQLSGLPA-UHFFFAOYSA-N- Molecular formula
- C18H10ClN5S
- Average molar mass
- 363.8 g/mol
Names & identifiers
- Preferred name
- 2-[6-(4-Chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]quinoline
- IUPAC
- 6-(4-chlorophenyl)-3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- English name
- 2-[6-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]quinoline
- Molecular formula
- C18H10ClN5S
- Molecular weight
- 363.82
Names & synonyms
951941-46-12-[6-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]quinoline6-(4-chlorophenyl)-3-quinolin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoleSTK946279AKOS005652089NCGC00286637-01AB01283270-01AO-365/434730336-(4-chlorophenyl)-3-(quinolin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoleQuinoline, 2-[6-(4-chlorophenyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-
Database identifiers
- CAS
951941-46-1
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 474
Physicochemical properties
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- pka
- 0.43 · 0.43±0.61(Predicted)
Chemistry & industry
Suppliers4 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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