1-(6-fluoro-1-tosyl-1H-pyrrolo[3,2-b]pyridin-5-yl)ethanone oxime
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Basic information
- Standard SMILES
CC(=NO)c1nc2ccn(S(=O)(=O)c3ccc(C)cc3)c2cc1F- InChIKey
IDPXGRAIGZXBKZ-UHFFFAOYSA-N- Molecular formula
- C16H14FN3O3S
- Average molar mass
- 347.4 g/mol
- Monoisotopic mass
- 347.07399065
Names & identifiers
- Preferred name
- 1-(6-fluoro-1-tosyl-1H-pyrrolo[3,2-b]pyridin-5-yl)ethanone oxime
- IUPAC
- N-[1-[6-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridin-5-yl]ethylidene]hydroxylamine
Names & synonyms
SCHEMBL15057955IDPXGRAIGZXBKZ-UHFFFAOYSA-N1-(6-fluoro-1-tosyl-1H-pyrrolo[3,2-b]pyridin-5-yl)ethanone oxime
Database identifiers
- PubChem CID
- 136409101
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 584
Related reactions
2 records
Compound notes
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