Structure Info
- Chemspace ID
- CSMB03608481649 (Enamine MADE)
- IUPAC Name
- rac-(3aR,7aR)-1-[(tert-butoxy)carbonyl]-octahydro-1H-pyrrolo[3,2-b]pyridine-4-carboimidothioic acid
- Mol formula
- C13H23N3O2S
- Mol weight
- 285 Da
- Catalog Number(s)
- BBV-391794253, BBV-391809577
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.54
- Heavy atoms count
- 19
- Rotatable bond count
- 2
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.846
- Polar surface area (Å)
- 57
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSMB03608481649
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