Structure Info
- Chemspace ID
- CSMB00161160254 (Enamine MADE)
- IUPAC Name
- 2,4,6-trimethyl-3-(piperazin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
- Mol formula
- C20H31BN2O4
- Mol weight
- 374 Da
- Catalog Number(s)
- CSC161160254, EN300-26631515
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.55
- Heavy atoms count
- 27
- Rotatable bond count
- 3
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.65
- Polar surface area (Å)
- 71
- Hydrogen bond acceptors count
- 6
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSMB00161160254
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