Structure Info
- Chemspace ID
- CSMB00161159467 (Enamine MADE)
- IUPAC Name
- 3-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}-2,4,6-trimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
- Mol formula
- C25H39BN2O6
- Mol weight
- 474 Da
- Catalog Number(s)
- CSC161159467, EN300-26631864
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 5.65
- Heavy atoms count
- 34
- Rotatable bond count
- 5
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.68
- Polar surface area (Å)
- 89
- Hydrogen bond acceptors count
- 6
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00161159467
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