1-(6-chloro-1-tosyl-1H-pyrrolo[3,2-b]pyridin-5-yl)ethanone oxime
Basic information
- Standard SMILES
CC(=NO)c1nc2ccn(S(=O)(=O)c3ccc(C)cc3)c2cc1Cl- InChIKey
KJBJBFWNMBQLKV-UHFFFAOYSA-N- Molecular formula
- C16H14ClN3O3S
- Average molar mass
- 363.8 g/mol
Names & identifiers
- Preferred name
- 1-(6-chloro-1-tosyl-1H-pyrrolo[3,2-b]pyridin-5-yl)ethanone oxime
- IUPAC
- N-[1-[6-chloro-1-(4-methylphenyl)sulfonylpyrrolo[3,2-b]pyridin-5-yl]ethylidene]hydroxylamine
Names & synonyms
SCHEMBL15059601KJBJBFWNMBQLKV-UHFFFAOYSA-N1-(6-chloro-1-tosyl-1H-pyrrolo[3,2-b]pyridin-5-yl)ethanone oxime
Database identifiers
- PubChem CID
- 136409100
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 584
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Related reactions
2 records
Compound notes
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