Structure Info
- Chemspace ID
- CSMB20621788407 (Enamine MADE)
- IUPAC Name
- 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzoate
- Mol formula
- C22H19BF3NO6
- Mol weight
- 461 Da
- Catalog Number(s)
- EN300-52978418
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 5.72
- Heavy atoms count
- 33
- Rotatable bond count
- 5
- Number of rings
- 4
- Carbon bond saturation, Fsp3
- 0.318
- Polar surface area (Å)
- 82
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB20621788407
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