Basic information
- CAS
91918-67-1- Standard SMILES
c1ccc2c(-c3cn4nc(-c5ccc6c(c5)OCO6)sc4n3)cccc2c1- InChIKey
HKHHTYXDILKRMK-UHFFFAOYSA-N- Molecular formula
- C21H13N3O2S
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.07284784
Names & identifiers
- Preferred name
- Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-6-(naphthalenyl)-
- IUPAC
- 2-(1,3-benzodioxol-5-yl)-6-naphthalen-1-ylimidazo[2,1-b][1,3,4]thiadiazole
Names & synonyms
Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-6-(naphthalenyl)-2-(1,3-Benzodioxol-5-yl)-6-(naphthalenyl)imidazo(2,1-b)-1,3,4-thiadiazole91918-67-1DTXSID30238773RefChem:348697DTXCID801612642-(2H-1,3-Benzodioxol-5-yl)-6-(naphthalen-1-yl)imidazo[2,1-b][1,3,4]thiadiazole
Database identifiers
- CAS
91918-67-1- PubChem CID
- 3045340
- DTXSID
DTXSID30238773
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 552
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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