Basic information
- CAS
91918-66-0- Standard SMILES
COc1ccc(-c2cn3nc(-c4ccc5c(c4)OCO5)sc3n2)cc1- InChIKey
SUWIXCUQJKAWLE-UHFFFAOYSA-N- Molecular formula
- C18H13N3O3S
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.06776246
Names & identifiers
- Preferred name
- Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-6-(4-methoxyphenyl)-
- IUPAC
- 2-(1,3-benzodioxol-5-yl)-6-(4-methoxyphenyl)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-methoxyphenyl)-91918-66-02-(1,3-Benzodioxol-5-yl)-6-(4-methoxyphenyl)imidazo(2,1-b)-1,3,4-thiadiazoleDTXSID70238772RefChem:348694DTXCID201612632-(1,3-benzodioxol-5-yl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole2-(2H-1,3-Benzodioxol-5-yl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
Database identifiers
- CAS
91918-66-0- PubChem CID
- 3045339
- DTXSID
DTXSID70238772
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 476
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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