Structure Info
- Chemspace ID
- CSMB00116222802 (Enamine MADE)
- CAS
- 2248360-25-8
- IUPAC Name
- 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 2-[4-({[(tert-butoxy)carbonyl]amino}methyl)-1,1-dioxo-1λ⁶-thian-4-yl]acetate
- Mol formula
- C21H26N2O8S
- Mol weight
- 467 Da
- Catalog Number(s)
- BBV-159653241, CSC116222802, EN300-6526157, FCH20154932
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.73
- Heavy atoms count
- 32
- Rotatable bond count
- 8
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.523
- Polar surface area (Å)
- 136
- Hydrogen bond acceptors count
- 6
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00116222802
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