Basic information
- CAS
91918-55-7- Standard SMILES
COc1cc(-c2nn3cc(-c4ccccc4[N+](=O)[O-])nc3s2)cc(OC)c1OC- InChIKey
BBYGBIGMJIGGLW-UHFFFAOYSA-N- Molecular formula
- C19H16N4O5S
- Average molar mass
- 412.4 g/mol
- Monoisotopic mass
- 412.0841408
Names & identifiers
- Preferred name
- Imidazo(2,1-b)-1,3,4-thiadiazole, 6-(o-nitrophenyl)-2-(3,4,5-trimethoxyphenyl)-
- IUPAC
- 6-(2-nitrophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
Names & synonyms
Imidazo(2,1-b)-1,3,4-thiadiazole, 6-(o-nitrophenyl)-2-(3,4,5-trimethoxyphenyl)-6-(o-Nitrophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo(2,1-b)-1,3,4-thiadiazole91918-55-7DTXSID40238764RefChem:348716DTXCID901612556-(2-nitrophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
Database identifiers
- CAS
91918-55-7- PubChem CID
- 3045341
- DTXSID
DTXSID40238764
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 567
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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