Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)n2ncc3c2CCCC3=O)cc1- InChIKey
BWAKDUOPDBYDPK-UHFFFAOYSA-N- Molecular formula
- C14H14N2O3S
- Average molar mass
- 290.34 g/mol
Names & identifiers
- Preferred name
- 1-tosyl-6,7-dihydro-1H-indazol-4(5H)-one
- IUPAC
- 1-(4-methylphenyl)sulfonyl-6,7-dihydro-5H-indazol-4-one
Names & synonyms
SCHEMBL2575238BWAKDUOPDBYDPK-UHFFFAOYSA-N1-tosyl-6,7-dihydro-1H-indazol-4(5H)-one
Database identifiers
- PubChem CID
- 67458588
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 477
Related reactions
3 records
Compound notes
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