Structure Info
- Chemspace ID
- CSCS00028487071 (Synthesis)
- IUPAC Name
- tert-butyl (5aR,8aS)-octahydro-1H-pyrrolo[3,2-e][1,4]oxazepine-1-carboxylate
- Mol formula
- C12H22N2O3
- Mol weight
- 242 Da
- Catalog Number(s)
- BBV-95509050, CSC028487071, FCH6601711
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.52
- Heavy atoms count
- 17
- Rotatable bond count
- 2
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.916
- Polar surface area (Å)
- 51
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSCS00028487071
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