Basic information
- CAS
724431-94-1- Standard SMILES
Clc1ccc(OCc2nn3c(Cc4ccccc4)nnc3s2)cc1- InChIKey
XBSADQDUQCYXDQ-UHFFFAOYSA-N- Molecular formula
- C17H13ClN4OS
- Average molar mass
- 356.8 g/mol
Names & identifiers
- Preferred name
- 3-Benzyl-6-[(4-chlorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- IUPAC
- 3-benzyl-6-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- English name
- 3-benzyl-6-[(4-chlorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- Molecular formula
- C17H13ClN4OS
- Molecular weight
- 356.83
Names & synonyms
3-benzyl-6-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole3-benzyl-6-[(4-chlorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazoleSTK192033AKOS001699322CCG-119897AP-501/42612060SR-01000115446SR-01000115446-11,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 6-[(4-chlorophenoxy)methyl]-3-(phenylmethyl)-
Database identifiers
- CAS
724431-94-1
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 404
Physicochemical properties
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- 0.13 · 0.13±0.50(Predicted)
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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