Basic information
- CAS
91918-64-8- Standard SMILES
Brc1ccc(-c2cn3nc(-c4ccc5c(c4)OCO5)sc3n2)cc1- InChIKey
WKEVHVFFELGVHJ-UHFFFAOYSA-N- Molecular formula
- C17H10BrN3O2S
- Average molar mass
- 400.3 g/mol
- Monoisotopic mass
- 398.96771
Names & identifiers
- Preferred name
- Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)-
- IUPAC
- 2-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)imidazo[2,1-b][1,3,4]thiadiazole
Names & synonyms
Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)-2-(1,3-Benzodioxol-5-yl)-6-(4-bromophenyl)imidazo(2,1-b)-1,3,4-thiadiazole91918-64-8DTXSID50238770RefChem:348692DTXCID001612612-(2H-1,3-Benzodioxol-5-yl)-6-(4-bromophenyl)imidazo[2,1-b][1,3,4]thiadiazole
Database identifiers
- CAS
91918-64-8- PubChem CID
- 3045338
- DTXSID
DTXSID50238770
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 465
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…