Structure Info
- Chemspace ID
- CSMB03608369517 (Enamine MADE)
- CAS
- 2550996-78-4
- MFCD
- MFCD32875038
- IUPAC Name
- rac-tert-butyl (4aR,9aS)-decahydro-1H-pyrido[3,2-b]azepine-5-carboxylate
- Mol formula
- C14H26N2O2
- Mol weight
- 254 Da
- Catalog Number(s)
- BBV-322130204, EN300-27158473
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.1
- Heavy atoms count
- 18
- Rotatable bond count
- 2
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.928
- Polar surface area (Å)
- 42
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB03608369517
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