Basic information
- CAS
905430-94-6- Standard SMILES
COc1ccc(Cc2nnc3sc(COc4ccc(Cl)cc4)nn23)cc1- InChIKey
HXLFCPADPIQSQZ-UHFFFAOYSA-N- Molecular formula
- C18H15ClN4O2S
- Average molar mass
- 386.9 g/mol
Names & identifiers
- Preferred name
- 6-[(4-Chlorophenoxy)methyl]-3-(4-methoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- IUPAC
- 6-[(4-chlorophenoxy)methyl]-3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- English name
- 6-[(4-chlorophenoxy)methyl]-3-(4-methoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- Molecular formula
- C18H15ClN4O2S
- Molecular weight
- 386.86
Names & synonyms
905430-94-66-[(4-chlorophenoxy)methyl]-3-(4-methoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole6-[(4-chlorophenoxy)methyl]-3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoleSTK708327AKOS000653445AO-365/433687196-((4-chlorophenoxy)methyl)-3-(4-methoxybenzyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 6-[(4-chlorophenoxy)methyl]-3-[(4-methoxyphenyl)methyl]-
Database identifiers
- CAS
905430-94-6
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 447
Physicochemical properties
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- -0.06 · -0.06±0.50(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…