Structure Info
- Chemspace ID
- CSMB00116212231 (Enamine MADE)
- CAS
- 2248344-45-6
- IUPAC Name
- 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3,3-dimethyl-2-(methylsulfanyl)butanoate
- Mol formula
- C15H17NO4S
- Mol weight
- 307 Da
- Catalog Number(s)
- BBV-159667337, CSC116212231, EN300-6514210, FCH20156467
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.28
- Heavy atoms count
- 21
- Rotatable bond count
- 5
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.4
- Polar surface area (Å)
- 64
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00116212231
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