Imidazo(2,1-b)-1,3,4-thiadiazole-5-carboxaldehyde, 6-phenyl-2-(3,4,5-trimethoxyphenyl)-
Basic information
- CAS
91918-78-4- Standard SMILES
COc1cc(-c2nn3c(C=O)c(-c4ccccc4)nc3s2)cc(OC)c1OC- InChIKey
LGGUKSCMYMLUSU-UHFFFAOYSA-N- Molecular formula
- C20H17N3O4S
- Average molar mass
- 395.4 g/mol
- Monoisotopic mass
- 395.09397721
Names & identifiers
- Preferred name
- Imidazo(2,1-b)-1,3,4-thiadiazole-5-carboxaldehyde, 6-phenyl-2-(3,4,5-trimethoxyphenyl)-
- IUPAC
- 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
Names & synonyms
Imidazo(2,1-b)-1,3,4-thiadiazole-5-carboxaldehyde, 6-phenyl-2-(3,4,5-trimethoxyphenyl)-6-Phenyl-2-(3,4,5-trimethoxyphenyl)imidazo(2,1-b)-1,3,4-thiadiazole-5-carboxaldehyde91918-78-4DTXSID80238783RefChem:348723DTXCID301612746-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
Database identifiers
- CAS
91918-78-4- PubChem CID
- 3045315
- DTXSID
DTXSID80238783
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 522
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…