Structure Info
- Chemspace ID
- CSMB03608483262 (Enamine MADE)
- IUPAC Name
- rac-tert-butyl (3aR,7aR)-4-[amino(sulfanyl)methylidene]-octahydro-1H-4λ⁵-pyrrolo[3,2-b]pyridine-1-carboxylate
- Mol formula
- C13H25N3O2S
- Mol weight
- 287 Da
- Catalog Number(s)
- BBV-391808525
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -4.13
- Heavy atoms count
- 19
- Rotatable bond count
- 2
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.846
- Polar surface area (Å)
- 79
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 3
- Zoom the structure
- CSMB03608483262
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