Structure Info
- Chemspace ID
- CSMB00161160270 (Enamine MADE)
- IUPAC Name
- methyl 4-methyl-3-(piperazin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
- Mol formula
- C19H29BN2O4
- Mol weight
- 360 Da
- Catalog Number(s)
- CSC161160270, EN300-26628295
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 4.22
- Heavy atoms count
- 26
- Rotatable bond count
- 4
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.631
- Polar surface area (Å)
- 60
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00161160270
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