Structure Info
- Chemspace ID
- CSMB00121416379 (Enamine MADE)
- IUPAC Name
- 4-(5-bromopyridin-2-yl)-1λ⁶-thiolane-1,1,3-trione
- Mol formula
- C9H8BrNO3S
- Mol weight
- 290 Da
- Catalog Number(s)
- BBV-158920171, CSC121416379
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.67
- Heavy atoms count
- 15
- Rotatable bond count
- 1
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.333
- Polar surface area (Å)
- 64
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00121416379
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