Structure Info
- Chemspace ID
- CSMB20621630754 (Enamine MADE)
- IUPAC Name
- ethyl (1r,4r)-1-(iodomethyl)-3-[1-(propan-2-yl)-1H-pyrazol-4-yl]-2-oxabicyclo[2.2.2]octane-4-carboxylate
- Mol formula
- C17H25IN2O3
- Mol weight
- 432 Da
- Catalog Number(s)
- EN300-52724553
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.48
- Heavy atoms count
- 23
- Rotatable bond count
- 6
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.76470588235294
- Polar surface area (Å)
- 53
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB20621630754
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