Basic information
- CAS
91918-56-8- Standard SMILES
COc1cc(-c2nn3cc(-c4ccc([N+](=O)[O-])cc4)nc3s2)cc(OC)c1OC- InChIKey
VYBLAUXSTTZHEN-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-(4-nitrophenyl)-2-(3,4,5-trimethoxyphenyl)-
- IUPAC
- 6-(4-nitrophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
Names & synonyms
6-(4-Nitrophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo(2,1-b)-1,3,4-thiadiazole91918-56-8Imidazo(2,1-b)-1,3,4-thiadiazole, 6-(4-nitrophenyl)-2-(3,4,5-trimethoxyphenyl)-RefChem:348714DTXSID509194516-(4-nitrophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
Database identifiers
- CAS
91918-56-8- PubChem CID
- 3045342
- DTXSID
DTXSID50919451
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
- 559
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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