Ethyl 4-[2-(4-butoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzoate
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCCCOc1ccc(-c2nn3cc(-c4ccc(C(=O)OCC)cc4)nc3s2)cc1- InChIKey
BXZOPMFMOODFKM-UHFFFAOYSA-N- Molecular formula
- C23H23N3O3S
- Average molar mass
- 421.5 g/mol
- Monoisotopic mass
- 421.14601278
Names & identifiers
- Preferred name
- Ethyl 4-[2-(4-butoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzoate
- IUPAC
- ethyl 4-[2-(4-butoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzoate
Database identifiers
- PubChem CID
- 53707196
Properties
Computed structural propertiesFilling in
- XLogP
- 5.6
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 550
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…