Basic information
- Standard SMILES
Cc1cc(-c2cc(C(F)(F)F)n3ncc(-c4nc(-c5ccc(S(N)(=O)=O)s5)no4)c3n2)ccc1C(F)(F)F- InChIKey
DXMOGHDQJBIRTF-UHFFFAOYSA-N- Molecular formula
- C21H12F6N6O3S2
- Average molar mass
- 574.5 g/mol
- Monoisotopic mass
- 574.03164959
Names & identifiers
- Preferred name
- 5-{5-[5-(3-Methyl-4-trifluoromethyl-phenyl)-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidin-3-yl]-[1,2,4]oxadiazol-3-yl}-thiophene-2-sulfonic acid amide
- IUPAC
- 5-[5-[5-[3-methyl-4-(trifluoromethyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
Names & synonyms
5-{5-[5-(3-Methyl-4-trifluoromethyl-phenyl)-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidin-3-yl]-[1,2,4]oxadiazol-3-yl}-thiophene-2-sulfonic acid amideSCHEMBL3123745-{5-[5-(3-Methyl-4-trifluoromethyl-phenyl)-7-trifluoromethyl-pyrazolo [1,5-a]pyrimidin-3-yl]-[1,2,4] oxadiazol-3-yl}-thiophene-2-sulfonic acid amide
Database identifiers
- PubChem CID
- 16068985
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 4
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 969
Related reactions
3 records
Compound notes
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