Basic information
- Standard SMILES
CCCCOc1ccc(-c2nn3cc(-c4ccc(C(=O)O)cc4)nc3s2)cc1- InChIKey
WTZMSXRJNNJUDQ-UHFFFAOYSA-N- Molecular formula
- C21H19N3O3S
- Average molar mass
- 393.5 g/mol
Names & identifiers
- Preferred name
- 4-[2-(4-Butyloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzoic acid
- IUPAC
- 4-[2-(4-butoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzoic acid
Names & synonyms
SCHEMBL7326102WTZMSXRJNNJUDQ-UHFFFAOYSA-N4-[2-(4-butyloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzoic acid
Database identifiers
- PubChem CID
- 21997461
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 521
Related reactions
2 records
Compound notes
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