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Basic information
- Standard SMILES
CC(C)(CO)NS(=O)(=O)c1cnc(C#Cc2cnn3c(C(F)(F)F)cc(-c4ccc(Cl)c(Cl)c4)nc23)s1- InChIKey
WDKSQONDGPROSV-UHFFFAOYSA-N- Molecular formula
- C22H16Cl2F3N5O3S2
- Average molar mass
- 590.4 g/mol
- Monoisotopic mass
- 589.0023716
Names & identifiers
- Preferred name
- 2-[5-(3,4-Dichloro-phenyl)-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiazole-5-sulfonic acid (2-hydroxy-1,1-dimethyl-ethyl)-amide
- IUPAC
- 2-[2-[5-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazole-5-sulfonamide
Names & synonyms
2-[5-(3,4-Dichloro-phenyl)-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiazole-5-sulfonic acid (2-hydroxy-1,1-dimethyl-ethyl)-amideSCHEMBL1348803
Database identifiers
- PubChem CID
- 67001022
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,000
Related reactions
5 records
Compound notes
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