Basic information
- CAS
876712-25-3- Standard SMILES
COc1cc(-c2nnc3sc(-c4ccc5c(c4)OCCO5)nn23)cc(OC)c1OC- InChIKey
ROMQBGFJRLJPMF-UHFFFAOYSA-N- Molecular formula
- C20H18N4O5S
- Average molar mass
- 426.4 g/mol
Names & identifiers
- Preferred name
- 6-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- IUPAC
- 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- English name
- 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- Molecular formula
- C20H18N4O5S
- Molecular weight
- 426.44572
Names & synonyms
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoleSTL099063AKOS000648731AO-365/43113522
Database identifiers
- CAS
876712-25-3
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 577
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
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Compound notes
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