Structure Info
- Chemspace ID
- CSMB00025789077 (Enamine MADE)
- CAS
- 2137564-42-0
- MFCD
- MFCD30735126
- IUPAC Name
- chloromethyl 3-{1-[(tert-butoxy)carbonyl]pyrrolidin-3-yl}-1H-1,2,4-triazole-5-carboxylate
- Mol formula
- C13H19ClN4O4
- Mol weight
- 331 Da
- Catalog Number(s)
- BBV-110007457, BBV-636648975, CSC025789077, EN300-387091, FCH9172706
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.83
- Heavy atoms count
- 22
- Rotatable bond count
- 6
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.692
- Polar surface area (Å)
- 97
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00025789077
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