Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2nc3cccc(F)c3s2)cc1- InChIKey
PSJBCRRMGZWKGA-UHFFFAOYSA-N- Molecular formula
- C18H11F4N3O2S2
- Average molar mass
- 441.4 g/mol
- Monoisotopic mass
- 441.0228816
Names & identifiers
- Preferred name
- 7-fluoro-2-[1-(4-methylsulfonylphenyl)-3-trifluoromethyl-1H-pyrazol-5-yl]benzothiazole
- IUPAC
- 7-fluoro-2-[1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,3-benzothiazole
Names & synonyms
7-fluoro-2-[1-(4-methylsulfonylphenyl)-3-trifluoromethyl-1H-pyrazol-5-yl]benzothiazoleSCHEMBL6977726
Database identifiers
- PubChem CID
- 23285385
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 694
Related reactions
1 records
Compound notes
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