Structure Info
- Chemspace ID
- CSMB03567592503 (Enamine MADE)
- IUPAC Name
- 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl]ethan-1-amine
- Mol formula
- C17H26BNO4
- Mol weight
- 319 Da
- Catalog Number(s)
- BBV-413407841
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.64
- Heavy atoms count
- 23
- Rotatable bond count
- 3
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.647
- Polar surface area (Å)
- 63
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB03567592503
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