Structure Info
- Chemspace ID
- CSMB14846441779 (Enamine MADE)
- IUPAC Name
- 2-amino-1-[(1R,2R,5S,6S)-9-oxa-10-azatricyclo[4.2.1.1²,⁵]decan-10-yl]-2-(1H-pyrazol-4-yl)ethan-1-one
- Mol formula
- C13H18N4O2
- Mol weight
- 262 Da
- Catalog Number(s)
- BBV-1012941404
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -0.43
- Heavy atoms count
- 19
- Rotatable bond count
- 2
- Number of rings
- 4
- Carbon bond saturation, Fsp3
- 0.69230769230769
- Polar surface area (Å)
- 84
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSMB14846441779
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