Structure Info
- Chemspace ID
- CSMB00025789156 (Enamine MADE)
- CAS
- 2137510-83-7
- MFCD
- MFCD30735167
- IUPAC Name
- chloromethyl 3-(5-bromopyridin-3-yl)-2-{[(tert-butoxy)carbonyl]amino}-3-hydroxypropanoate
- Mol formula
- C14H18BrClN2O5
- Mol weight
- 410 Da
- Catalog Number(s)
- BBV-110008737, CSC025789156, EN300-387132, FCH9172766
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.96
- Heavy atoms count
- 23
- Rotatable bond count
- 8
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.5
- Polar surface area (Å)
- 98
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSMB00025789156
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