Basic information
- CAS
878429-78-8- Standard SMILES
COc1ccc(-c2nnc3sc(-c4ccc5c(c4)OCCO5)nn23)cc1- InChIKey
DUMBIWDQCAIHOY-UHFFFAOYSA-N- Molecular formula
- C18H14N4O3S
- Average molar mass
- 366.4 g/mol
Names & identifiers
- Preferred name
- 6-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- IUPAC
- 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- English name
- 4-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]phenyl methyl ether
- Molecular formula
- C18H14N4O3S
- Molecular weight
- 366.39
Names & synonyms
878429-78-86-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoleSTK298001AKOS0006520684-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]phenyl methyl etherAO-365/433011236-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)-
Database identifiers
- CAS
878429-78-8
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 493
Physicochemical properties
- Density
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- pka
- -0.35 · -0.35±0.50(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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