Structure Info
- Chemspace ID
- CSMB20269912480 (Enamine MADE)
- IUPAC Name
- 4,5,6,7-tetrachloro-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
- C21H22Cl4N2O8S
- Mol weight
- 604 Da
- Catalog Number(s)
- EN300-51792748
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.14
- Heavy atoms count
- 36
- 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
- CSMB20269912480
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