Structure Info
- Chemspace ID
- CSMB00116225458 (Enamine MADE)
- CAS
- 2248404-12-6
- IUPAC Name
- 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzoate
- Mol formula
- C22H22N2O6S
- Mol weight
- 442 Da
- Catalog Number(s)
- CSC116225458, EN300-6524569
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.52
- Heavy atoms count
- 31
- Rotatable bond count
- 4
- Number of rings
- 4
- Carbon bond saturation, Fsp3
- 0.318
- Polar surface area (Å)
- 101
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00116225458
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