Structure Info
- Chemspace ID
- CSMB20270035129 (Enamine MADE)
- IUPAC Name
- 4,5,6,7-tetrachloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl (3S)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-cyanophenyl)butanoate
- Mol formula
- C24H19Cl4N3O6
- Mol weight
- 587 Da
- Catalog Number(s)
- EN300-51788955
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 5.98
- Heavy atoms count
- 37
- Rotatable bond count
- 9
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.291
- Polar surface area (Å)
- 126
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB20270035129
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