Basic information
- CAS
91918-62-6- Standard SMILES
O=[N+]([O-])c1ccc(-c2cn3nc(-c4ccc5c(c4)OCO5)sc3n2)cc1- InChIKey
RJHQCLWWEZEFGE-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-(1,3-benzodioxol-5-yl)-6-(4-nitrophenyl)-
- IUPAC
- 2-(1,3-benzodioxol-5-yl)-6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole
Names & synonyms
Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-6-(4-nitrophenyl)-2-(1,3-Benzodioxol-5-yl)-6-(4-nitrophenyl)imidazo(2,1-b)-1,3,4-thiadiazole91918-62-6DTXSID80238768RefChem:348696DTXCID301612592-(2H-1,3-Benzodioxol-5-yl)-6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole
Database identifiers
- CAS
91918-62-6- PubChem CID
- 3045331
- DTXSID
DTXSID80238768
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
- 541
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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