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Basic information
- Standard SMILES
CC(C)(C)c1cc(-c2ccc(Cl)cc2)nc2c(C#Cc3ccc(S(N)(=O)=O)s3)cnn12- InChIKey
QXEWWOFQOQDEFA-UHFFFAOYSA-N- Molecular formula
- C22H19ClN4O2S2
- Average molar mass
- 471 g/mol
Names & identifiers
- Preferred name
- 5-[7-tert.-Butyl-5-(4-chloro-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiophene-2-sulfonic acid amide
- IUPAC
- 5-[2-[7-tert-butyl-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]thiophene-2-sulfonamide
Names & synonyms
SCHEMBL1348845QXEWWOFQOQDEFA-UHFFFAOYSA-N5-[7-tert.-Butyl-5-(4-chloro-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiophene-2-sulfonic acid amide
Database identifiers
- PubChem CID
- 67001035
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 820
Related reactions
5 records
Compound notes
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