Basic information
- CAS
91918-71-7- Standard SMILES
CCOc1c(OC)cc(-c2nn3cc(-c4ccc(Br)cc4)nc3s2)cc1OC- InChIKey
XHSQZAOSGXXMFJ-UHFFFAOYSA-N- Molecular formula
- C20H18BrN3O3S
- Average molar mass
- 460.3 g/mol
- Monoisotopic mass
- 459.02523
Names & identifiers
- Preferred name
- Imidazo(2,1-b)-1,3,4-thiadiazole, 6-(4-bromophenyl)-2-(3,5-dimethoxy-4-ethoxyphenyl)-
- IUPAC
- 6-(4-bromophenyl)-2-(4-ethoxy-3,5-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
Names & synonyms
Imidazo(2,1-b)-1,3,4-thiadiazole, 6-(4-bromophenyl)-2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(4-Bromophenyl)-2-(3,5-dimethoxy-4-ethoxyphenyl)imidazo(2,1-b)-1,3,4-thiadiazole91918-71-7DTXSID10238776RefChem:348709DTXCID601612676-(4-bromophenyl)-2-(4-ethoxy-3,5-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
Database identifiers
- CAS
91918-71-7- PubChem CID
- 3045321
- DTXSID
DTXSID10238776
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 497
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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