Structure Info
- Chemspace ID
- CSMB00025788815 (Enamine MADE)
- CAS
- 2137427-54-2
- MFCD
- MFCD30734423
- IUPAC Name
- 5-tert-butyl 4-chloromethyl (1S,4S,6R)-7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane-4,5-dicarboxylate
- Mol formula
- C13H17ClF3NO5
- Mol weight
- 360 Da
- Catalog Number(s)
- BBV-110003487, CSC025788815, EN300-386378, FCH9165734
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.03
- Heavy atoms count
- 23
- Rotatable bond count
- 6
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.846
- Polar surface area (Å)
- 65
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00025788815
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