Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(o-nitrophenyl)-
Basic information
- CAS
91918-68-2- Standard SMILES
CCOc1c(OC)cc(-c2nn3cc(-c4ccccc4[N+](=O)[O-])nc3s2)cc1OC- InChIKey
NZFSJMQUYHYIHC-UHFFFAOYSA-N- Molecular formula
- C20H18N4O5S
- Average molar mass
- 426.4 g/mol
- Monoisotopic mass
- 426.09979086
Names & identifiers
- Preferred name
- Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(o-nitrophenyl)-
- IUPAC
- 2-(4-ethoxy-3,5-dimethoxyphenyl)-6-(2-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole
Names & synonyms
Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(o-nitrophenyl)-2-(3,5-Dimethoxy-4-ethoxyphenyl)-6-(o-nitrophenyl)imidazo(2,1-b)-1,3,4-thiadiazole91918-68-2DTXSID90238774RefChem:348702DTXCID401612652-(4-ethoxy-3,5-dimethoxyphenyl)-6-(2-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole
Database identifiers
- CAS
91918-68-2- PubChem CID
- 3045319
- DTXSID
DTXSID90238774
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 582
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Compound notes
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