Basic information
- CAS
91918-61-5- Standard SMILES
O=[N+]([O-])c1ccccc1-c1cn2nc(-c3ccc4c(c3)OCO4)sc2n1- InChIKey
WUDQUHXUKHTYLJ-UHFFFAOYSA-N- Molecular formula
- C17H10N4O4S
- Average molar mass
- 366.4 g/mol
- Monoisotopic mass
- 366.04227599
Names & identifiers
- Preferred name
- Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(3,4-(methylenedioxy)phenyl)-6-(o-nitrophenyl)-
- IUPAC
- 2-(1,3-benzodioxol-5-yl)-6-(2-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole
Names & synonyms
Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(3,4-(methylenedioxy)phenyl)-6-(o-nitrophenyl)-Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-6-(2-nitrophenyl)-91918-61-5DTXSID202387672-(3,4-(Methylenedioxy)phenyl)-6-(o-nitrophenyl)imidazo(2,1-b)-1,3,4-thiadiazoleRefChem:348699DTXCID701612582-(2H-1,3-Benzodioxol-5-yl)-6-(2-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole
Database identifiers
- CAS
91918-61-5- PubChem CID
- 3045330
- DTXSID
DTXSID20238767
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 549
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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