Basic information
- CAS
91918-57-9- Standard SMILES
COc1cc(-c2nn3cc(-c4ccc(Cl)cc4)nc3s2)cc(OC)c1OC- InChIKey
MKIRMHJBMDXFPP-UHFFFAOYSA-N- Molecular formula
- C19H16ClN3O3S
- Average molar mass
- 401.9 g/mol
- Monoisotopic mass
- 401.0600902
Names & identifiers
- Preferred name
- Imidazo(2,1-b)-1,3,4-thiadiazole, 6-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-
- IUPAC
- 6-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
Names & synonyms
6-(4-Chlorophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo(2,1-b)-1,3,4-thiadiazole91918-57-9Imidazo(2,1-b)-1,3,4-thiadiazole, 6-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-RefChem:348710DTXSID909194506-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
Database identifiers
- CAS
91918-57-9- PubChem CID
- 3045343
- DTXSID
DTXSID90919450
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 483
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…