Basic information
- Standard SMILES
CC(C)(C)c1nn(-c2c(F)cc(Cl)c3nc(Cl)sc23)c(=O)o1- InChIKey
FSKJGEKXVAWUHH-UHFFFAOYSA-N- Molecular formula
- C13H10Cl2FN3O2S
- Average molar mass
- 362.2 g/mol
Names & identifiers
- Preferred name
- 3-(2,4-dichloro-6-fluorobenzothiazol-7-yl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one
- IUPAC
- 5-tert-butyl-3-(2,4-dichloro-6-fluoro-1,3-benzothiazol-7-yl)-1,3,4-oxadiazol-2-one
Names & synonyms
SCHEMBL9146063FSKJGEKXVAWUHH-UHFFFAOYSA-N3-(2,4-dichloro-6-fluorobenzothiazol-7-yl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one
Database identifiers
- PubChem CID
- 19933468
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 516
Related reactions
1 records
Compound notes
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