Basic information
- CAS
91918-76-2- Standard SMILES
COc1cc(-c2nn3c(Br)c(-c4ccc(Br)cc4)nc3s2)cc(OC)c1OC- InChIKey
AQQSOTDIWIUETJ-UHFFFAOYSA-N- Molecular formula
- C19H15Br2N3O3S
- Average molar mass
- 525.2 g/mol
- Monoisotopic mass
- 522.92009
Names & identifiers
- Preferred name
- Imidazo(2,1-b)-1,3,4-thiadiazole, 5-bromo-6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)-
- IUPAC
- 5-bromo-6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
Names & synonyms
Imidazo(2,1-b)-1,3,4-thiadiazole, 5-bromo-6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)-5-Bromo-6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo(2,1-b)-1,3,4-thiadiazole91918-76-2DTXSID60238781RefChem:348705DTXCID101612725-bromo-6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
Database identifiers
- CAS
91918-76-2- PubChem CID
- 3045324
- DTXSID
DTXSID60238781
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 515
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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