Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-5-bromo-6-phenyl-
Basic information
- CAS
91918-80-8- Standard SMILES
Brc1c(-c2ccccc2)nc2sc(-c3ccc4c(c3)OCO4)nn12- InChIKey
SXOFMJFVROYCGH-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)-5-bromo-6-phenyl-
- IUPAC
- 2-(1,3-benzodioxol-5-yl)-5-bromo-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
Names & synonyms
Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-5-bromo-6-phenyl-2-(1,3-Benzodioxol-5-yl)-5-bromo-6-phenylimidazo(2,1-b)-1,3,4-thiadiazole91918-80-8DTXSID00238785RefChem:348690DTXCID501612762-(2H-1,3-Benzodioxol-5-yl)-5-bromo-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
Database identifiers
- CAS
91918-80-8- PubChem CID
- 3045317
- DTXSID
DTXSID00238785
Properties
Computed structural properties
- XLogP
- 5
- 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
- 467
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Compound notes
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