Basic information
- Standard SMILES
O=S(=O)(NC(CO)CO)c1ccc(C#Cc2cnn3c(C(F)(F)F)cc(-c4cccc(C(F)(F)F)c4)nc23)s1- InChIKey
JLIIFXROGQOCJZ-UHFFFAOYSA-N- Molecular formula
- C23H16F6N4O4S2
- Average molar mass
- 590.5 g/mol
- Monoisotopic mass
- 590.05171632
Names & identifiers
- Preferred name
- 5-[7-Trifluoromethyl-5-(3-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiophene-2-sulfonic acid (2-hydroxy-1-hydroxymethyl-ethyl)-amide
- IUPAC
- N-(1,3-dihydroxypropan-2-yl)-5-[2-[7-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]thiophene-2-sulfonamide
Names & synonyms
5-[7-Trifluoromethyl-5-(3-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiophene-2-sulfonic acid (2-hydroxy-1-hydroxymethyl-ethyl)-amideSCHEMBL1346622
Database identifiers
- PubChem CID
- 86608115
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
5 records
Compound notes
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