Structure Info
- Chemspace ID
- CSMB20471898874 (Enamine MADE)
- IUPAC Name
- 2-ethyl-1,1,3-trioxo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1λ⁶,2-benzothiazole-6-carboxylic acid
- Mol formula
- C16H20BNO7S
- Mol weight
- 381 Da
- Catalog Number(s)
- BBV-1321268703
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.32
- Heavy atoms count
- 26
- Rotatable bond count
- 3
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.5
- Polar surface area (Å)
- 110
- Hydrogen bond acceptors count
- 7
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB20471898874
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