Structure Info
- Chemspace ID
- CSMB14921721057 (Enamine MADE)
- IUPAC Name
- rac-5-[(3aR,7aR)-octahydro-1H-indene-2-carbonyl]-4-bromo-1-ethyl-1H-1,2,3-triazole
- Mol formula
- C14H20BrN3O
- Mol weight
- 326 Da
- Catalog Number(s)
- BBV-1093080481
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.5
- Heavy atoms count
- 19
- Rotatable bond count
- 3
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.785
- Polar surface area (Å)
- 48
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB14921721057
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