Basic information
- Standard SMILES
Clc1nsnc1C1CN2CCC1CC2.O=C(O)C(=O)O- InChIKey
UFHXZGRUEKQIPN-UHFFFAOYSA-N- Molecular formula
- C11H14ClN3O4S
- Average molar mass
- 319.77 g/mol
- Monoisotopic mass
- 319.0393548
Names & identifiers
- Preferred name
- 3-(3-Chloro-1,2,5-thiadiazol-4-yl)-1-azabicyclo[2.2.2]octane oxalate
- IUPAC
- 3-(1-azabicyclo[2.2.2]octan-3-yl)-4-chloro-1,2,5-thiadiazole;oxalic acid
Names & synonyms
SCHEMBL7820139UFHXZGRUEKQIPN-UHFFFAOYSA-N3-(3-chloro-1,2,5-thiadiazol-4-yl)-1-azabicyclo[2.2.2]octane oxalate
Database identifiers
- PubChem CID
- 21708545
Properties
Computed structural properties
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 292
Related reactions
17 records
Compound notes
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